3-(azepan-1-ylcarbonyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1-(2-methylpropyl)pyridin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1-(2-methylpropyl)pyridin-4-one Openeye Name: 3-(azepane-1-carbonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-isobutyl-pyridin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-(2-methylpropyl)-4-pyridinone IUPAC Name: 3-(azepane-1-carbonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyridin-4-one Traditional Name: 3-(azepane-1-carbonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-isobutyl-4-pyridone Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)N4CCCCCC4)CC(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)N4CCCCCC4)CC(C)C)C

InChI

InChI=1S/C29H40N4O3/c1-21(2)18-30-19-24(28(35)32-12-7-5-6-8-13-32)27(34)25(20-30)29(36)33-16-14-31(15-17-33)26-11-9-10-22(3)23(26)4/h9-11,19-21H,5-8,12-18H2,1-4H3