1-(4-azanyl-3-methyl-phenyl)-8-chloranyl-N-cyclopropyl-4-methyl-2,3-benzodiazepine-3-carboxamide

Systemtic Name: 1-(4-azanyl-3-methyl-phenyl)-8-chloranyl-N-cyclopropyl-4-methyl-2,3-benzodiazepine-3-carboxamide Openeye Name: 1-(4-amino-3-methyl-phenyl)-8-chloro-N-cyclopropyl-4-methyl-2,3-benzodiazepine-3-carboxamide CAS Name: 1-(4-amino-3-methylphenyl)-8-chloro-N-cyclopropyl-4-methyl-2,3-benzodiazepine-3-carboxamide IUPAC Name: 1-(4-amino-3-methylphenyl)-8-chloro-N-cyclopropyl-4-methyl-2,3-benzodiazepine-3-carboxamide Traditional Name: 1-(4-amino-3-methyl-phenyl)-8-chloro-N-cyclopropyl-4-methyl-2,3-benzodiazepine-3-carboxamide Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2)Cl)C(=NN1C(=O)NC3CC3)C4=CC(=C(C=C4)N)C

Isomeric SMILES

CC1=CC2=C(C=C(C=C2)Cl)C(=NN1C(=O)NC3CC3)C4=CC(=C(C=C4)N)C

InChI

InChI=1S/C21H21ClN4O/c1-12-9-15(4-8-19(12)23)20-18-11-16(22)5-3-14(18)10-13(2)26(25-20)21(27)24-17-6-7-17/h3-5,8-11,17H,6-7,23H2,1-2H3,(H,24,27)