5-[methyl(2-methylpropyl)amino]-1-[(3-methylphenyl)methyl]azepan-2-one

Systemtic Name: 5-[methyl(2-methylpropyl)amino]-1-[(3-methylphenyl)methyl]azepan-2-one Openeye Name: 5-[isobutyl(methyl)amino]-1-(m-tolylmethyl)azepan-2-one CAS Name: 5-[methyl(2-methylpropyl)amino]-1-[(3-methylphenyl)methyl]-2-azepanone IUPAC Name: 5-[methyl(2-methylpropyl)amino]-1-[(3-methylphenyl)methyl]azepan-2-one Traditional Name: 5-[isobutyl(methyl)amino]-1-(3-methylbenzyl)azepan-2-one Formula: C19H30N2O MolecularWeight: 302.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CCC2=O)N(C)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CCC2=O)N(C)CC(C)C

InChI

InChI=1S/C19H30N2O/c1-15(2)13-20(4)18-8-9-19(22)21(11-10-18)14-17-7-5-6-16(3)12-17/h5-7,12,15,18H,8-11,13-14H2,1-4H3