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

Systemtic Name: N-butyl-8-chloranyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Openeye Name: N-butyl-8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide CAS Name: N-butyl-8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide IUPAC Name: N-butyl-8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Traditional Name: N-butyl-8-chloro-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxamide Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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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+](=O)[O-])C

Isomeric SMILES

CCCCNC(=O)N1C(CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23ClN4O3/c1-3-4-11-23-21(27)25-14(2)12-16-5-8-17(22)13-19(16)20(24-25)15-6-9-18(10-7-15)26(28)29/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,27)