9-bromanyl-8-methoxy-6-(4-nitrophenyl)-3-propyl-11H-imidazo[1,2-c][2,3]benzodiazepine

Systemtic Name: 9-bromanyl-8-methoxy-6-(4-nitrophenyl)-3-propyl-11H-imidazo[1,2-c][2,3]benzodiazepine Openeye Name: 9-bromo-8-methoxy-6-(4-nitrophenyl)-3-propyl-11H-imidazo[1,2-c][2,3]benzodiazepine CAS Name: 9-bromo-8-methoxy-6-(4-nitrophenyl)-3-propyl-11H-imidazo[1,2-c][2,3]benzodiazepine IUPAC Name: 9-bromo-8-methoxy-6-(4-nitrophenyl)-3-propyl-11H-imidazo[1,2-c][2,3]benzodiazepine Traditional Name: 9-bromo-8-methoxy-6-(4-nitrophenyl)-3-propyl-11H-imidazo[1,2-c][2,3]benzodiazepine Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C2N1N=C(C3=CC(=C(C=C3C2)Br)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CN=C2N1N=C(C3=CC(=C(C=C3C2)Br)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN4O3/c1-3-4-16-12-23-20-10-14-9-18(22)19(29-2)11-17(14)21(24-25(16)20)13-5-7-15(8-6-13)26(27)28/h5-9,11-12H,3-4,10H2,1-2H3