(3S)-1-(4-chlorophenyl)carbonyl-3-[(4,5-dimethoxy-2-methyl-phenyl)amino]azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-[(4,5-dimethoxy-2-methyl-phenyl)amino]azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(4,5-dimethoxy-2-methyl-anilino)azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(4,5-dimethoxy-2-methylanilino)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(4,5-dimethoxy-2-methylanilino)azepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(4,5-dimethoxy-2-methyl-anilino)azepan-2-one Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1N[C@H]2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C22H25ClN2O4/c1-14-12-19(28-2)20(29-3)13-18(14)24-17-6-4-5-11-25(22(17)27)21(26)15-7-9-16(23)10-8-15/h7-10,12-13,17,24H,4-6,11H2,1-3H3/t17-/m0/s1