1-[8-chloranyl-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one

Systemtic Name: 1-[8-chloranyl-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Openeye Name: 1-[8-chloro-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one CAS Name: 1-[8-chloro-4-methyl-1-(3-methyl-4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]-1-propanone IUPAC Name: 1-[8-chloro-4-methyl-1-(3-methyl-4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Traditional Name: 1-[8-chloro-4-methyl-1-(3-methyl-4-nitro-phenyl)-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3/c1-4-19(25)23-13(3)10-14-5-7-16(21)11-17(14)20(22-23)15-6-8-18(24(26)27)12(2)9-15/h5-9,11,13H,4,10H2,1-3H3