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

Systemtic Name: 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-(2-chlorophenyl)-2-(propargylamino)-3H-1,4-benzodiazepine-7-carbonitrile Formula: C19H13ClN4 MolecularWeight: 332.78632

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3Cl

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H13ClN4/c1-2-9-22-18-12-23-19(14-5-3-4-6-16(14)20)15-10-13(11-21)7-8-17(15)24-18/h1,3-8,10H,9,12H2,(H,22,24)