1-(3,4-dimethylphenyl)-3-[7-methyl-5-(2-methylphenyl)-2-oxidanylidene-1-(2-oxidanylideneethyl)azepan-3-yl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[7-methyl-5-(2-methylphenyl)-2-oxidanylidene-1-(2-oxidanylideneethyl)azepan-3-yl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[7-methyl-5-(o-tolyl)-2-oxo-1-(2-oxoethyl)azepan-3-yl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[7-methyl-5-(2-methylphenyl)-2-oxo-1-(2-oxoethyl)-3-azepanyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[7-methyl-5-(2-methylphenyl)-2-oxo-1-(2-oxoethyl)azepan-3-yl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[2-keto-1-(2-ketoethyl)-7-methyl-5-(o-tolyl)azepan-3-yl]urea Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C(=O)N1CC=O)NC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=CC=C3C

Isomeric SMILES

CC1CC(CC(C(=O)N1CC=O)NC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=CC=C3C

InChI

InChI=1S/C25H31N3O3/c1-16-9-10-21(13-18(16)3)26-25(31)27-23-15-20(22-8-6-5-7-17(22)2)14-19(4)28(11-12-29)24(23)30/h5-10,12-13,19-20,23H,11,14-15H2,1-4H3,(H2,26,27,31)