N'-(4-chlorophenyl)-N-cyano-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboximidamide

Systemtic Name: N'-(4-chlorophenyl)-N-cyano-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboximidamide Openeye Name: N'-(4-chlorophenyl)-N-cyano-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamidine CAS Name: N'-(4-chlorophenyl)-N-cyano-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboximidamide IUPAC Name: N'-(4-chlorophenyl)-N-cyano-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboximidamide Traditional Name: N'-(4-chlorophenyl)-N-cyano-1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamidine Formula: C27H24ClN7 MolecularWeight: 481.97936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=NC3=CC=C(C=C3)Cl)NC#N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=NC3=CC=C(C=C3)Cl)NC#N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H24ClN7/c28-23-7-9-24(10-8-23)33-27(31-18-29)35-13-12-34(17-25-15-30-19-32-25)26-11-6-21(14-22(26)16-35)20-4-2-1-3-5-20/h1-11,14-15,19H,12-13,16-17H2,(H,30,32)(H,31,33)