2-azanyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 2-azanyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 2-amino-5-(2-chlorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 2-amino-5-(2-chlorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 2-amino-5-(2-chlorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 2-amino-5-(2-chlorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Formula: C16H11ClN4 MolecularWeight: 294.73834

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3Cl)N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3Cl)N

InChI

InChI=1S/C16H11ClN4/c17-13-4-2-1-3-11(13)16-12-7-10(8-18)5-6-14(12)21-15(19)9-20-16/h1-7H,9H2,(H2,19,21)