Conivaptan
N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
Molecular Identity
Conivaptan
N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
PubChem CID: 151171
2D Structure
Properties
C32H26N4O2
Molecular Formula
498.60
Molecular Weight
g/mol
498.2056
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
78.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
820
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6Isomeric SMILES
SMILES: CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6Synonyms(20)
Conivaptan210101-16-9YM087YM-087YM 0870NJ98Y462X4'-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)-2-biphenylcarboxanilideCHEBI:681850DTXSID80175220[1,1'-Biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-(1,1'-biphenyl)-2-carboxamide, N-(4-((4,5-dihydro-2-methylimidazo(4,5-D)(1)benzazepin-6(1H)-yl)carbonyl)phenyl)-4''-((4,5-dihydro-2-methylimidazo(4,5-D)(1)benzazepin-6(1H)-yl)carbonyl)-2-biphenylcarboxanilideconivaptanumN-(4-((4-methyl-3,5,9-triazatricyclo(8.4.0.0^(2,6))tetradeca-1(10),2(6),3,11,13-pentaen-9-yl)carbonyl)phenyl)-2-phenylbenzamideN-(4-(2-methyl4,5-dihydro-3H-imidazo(5,4-d)(1)benzazepine-6-carbonyl)phenyl)-2-phenylbenzamide
Data from PubChem (NCBI)
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