1-(4-aminophenyl)-N-butyl-8-chloranyl-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide

Systemtic Name: 1-(4-aminophenyl)-N-butyl-8-chloranyl-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: 1-(4-aminophenyl)-N-butyl-8-chloro-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: 1-(4-aminophenyl)-N-butyl-8-chloro-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: 1-(4-aminophenyl)-N-butyl-8-chloro-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: 1-(4-aminophenyl)-N-butyl-8-chloro-4-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)N)C

Isomeric SMILES

CCCCNC(=O)N1C(CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C21H25ClN4O/c1-3-4-11-24-21(27)26-14(2)12-16-5-8-17(22)13-19(16)20(25-26)15-6-9-18(23)10-7-15/h5-10,13-14H,3-4,11-12,23H2,1-2H3,(H,24,27)