N'-(4-chlorophenyl)-N-cyano-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboximidamide

Systemtic Name: N'-(4-chlorophenyl)-N-cyano-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboximidamide Openeye Name: N'-(4-chlorophenyl)-N-cyano-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamidine CAS Name: N'-(4-chlorophenyl)-N-cyano-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboximidamide IUPAC Name: N'-(4-chlorophenyl)-N-cyano-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboximidamide Traditional Name: N'-(4-chlorophenyl)-N-cyano-7-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxamidine Formula: C23H20ClN5 MolecularWeight: 401.8914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)C(=NC4=CC=C(C=C4)Cl)NC#N

Isomeric SMILES

C1CN(CC2=C(N1)C=CC(=C2)C3=CC=CC=C3)C(=NC4=CC=C(C=C4)Cl)NC#N

InChI

InChI=1S/C23H20ClN5/c24-20-7-9-21(10-8-20)28-23(27-16-25)29-13-12-26-22-11-6-18(14-19(22)15-29)17-4-2-1-3-5-17/h1-11,14,26H,12-13,15H2,(H,27,28)