1-[1-(4-azanyl-3-methyl-phenyl)-7,8-bis(chloranyl)-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one

Systemtic Name: 1-[1-(4-azanyl-3-methyl-phenyl)-7,8-bis(chloranyl)-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Openeye Name: 1-[1-(4-amino-3-methyl-phenyl)-7,8-dichloro-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one CAS Name: 1-[1-(4-amino-3-methylphenyl)-7,8-dichloro-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]-1-propanone IUPAC Name: 1-[1-(4-amino-3-methylphenyl)-7,8-dichloro-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Traditional Name: 1-[1-(4-amino-3-methyl-phenyl)-7,8-dichloro-4-methyl-4,5-dihydro-2,3-benzodiazepin-3-yl]propan-1-one Formula: C20H21Cl2N3O MolecularWeight: 390.30624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC2=CC(=C(C=C2C(=N1)C3=CC(=C(C=C3)N)C)Cl)Cl)C

Isomeric SMILES

CCC(=O)N1C(CC2=CC(=C(C=C2C(=N1)C3=CC(=C(C=C3)N)C)Cl)Cl)C

InChI

InChI=1S/C20H21Cl2N3O/c1-4-19(26)25-12(3)8-14-9-16(21)17(22)10-15(14)20(24-25)13-5-6-18(23)11(2)7-13/h5-7,9-10,12H,4,8,23H2,1-3H3