4-[3-[5-(hydroxymethyl)-1,2,3-triazol-1-yl]phenyl]-7-[methyl(propyl)amino]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile

Systemtic Name: 4-[3-[5-(hydroxymethyl)-1,2,3-triazol-1-yl]phenyl]-7-[methyl(propyl)amino]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Openeye Name: 4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-7-[methyl(propyl)amino]-2-oxo-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile CAS Name: 4-[3-[5-(hydroxymethyl)-1-triazolyl]phenyl]-7-[methyl(propyl)amino]-2-oxo-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile IUPAC Name: 4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-7-[methyl(propyl)amino]-2-oxo-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Traditional Name: 2-keto-4-[3-(5-methyloltriazol-1-yl)phenyl]-7-[methyl(propyl)amino]-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Formula: C23H23N7O2 MolecularWeight: 429.47442

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC2=C(C=C1C#N)NC(=O)CC(=N2)C3=CC(=CC=C3)N4C(=CN=N4)CO

Isomeric SMILES

CCCN(C)C1=CC2=C(C=C1C#N)NC(=O)CC(=N2)C3=CC(=CC=C3)N4C(=CN=N4)CO

InChI

InChI=1S/C23H23N7O2/c1-3-7-29(2)22-10-21-20(9-16(22)12-24)27-23(32)11-19(26-21)15-5-4-6-17(8-15)30-18(14-31)13-25-28-30/h4-6,8-10,13,31H,3,7,11,14H2,1-2H3,(H,27,32)