methyl 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-1H-1,4-benzodiazepine-7-carboxylate

Systemtic Name: methyl 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-1H-1,4-benzodiazepine-7-carboxylate Openeye Name: methyl 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-1H-1,4-benzodiazepine-7-carboxylate CAS Name: 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-1H-1,4-benzodiazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-chlorophenyl)-2-(prop-2-ynylamino)-1H-1,4-benzodiazepine-7-carboxylate Traditional Name: 5-(2-chlorophenyl)-2-(propargylamino)-1H-1,4-benzodiazepine-7-carboxylic acid methyl ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC(=CN=C2C3=CC=CC=C3Cl)NCC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC(=CN=C2C3=CC=CC=C3Cl)NCC#C

InChI

InChI=1S/C20H16ClN3O2/c1-3-10-22-18-12-23-19(14-6-4-5-7-16(14)21)15-11-13(20(25)26-2)8-9-17(15)24-18/h1,4-9,11-12,22,24H,10H2,2H3