1-[8-bromanyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one

Systemtic Name: 1-[8-bromanyl-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Openeye Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one CAS Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1-propanone IUPAC Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Traditional Name: 1-[8-bromo-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3/c1-3-18(24)22-12(2)10-14-4-7-15(20)11-17(14)19(21-22)13-5-8-16(9-6-13)23(25)26/h4-9,11-12H,3,10H2,1-2H3