3-[[cyclopropyl-(4-methylphenyl)methyl]amino]azepan-2-one

Systemtic Name: 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]azepan-2-one Openeye Name: 3-[[cyclopropyl(p-tolyl)methyl]amino]azepan-2-one CAS Name: 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-azepanone IUPAC Name: 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]azepan-2-one Traditional Name: 3-[[cyclopropyl(p-tolyl)methyl]amino]azepan-2-one Formula: C17H24N2O MolecularWeight: 272.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC3CCCCNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC3CCCCNC3=O

InChI

InChI=1S/C17H24N2O/c1-12-5-7-13(8-6-12)16(14-9-10-14)19-15-4-2-3-11-18-17(15)20/h5-8,14-16,19H,2-4,9-11H2,1H3,(H,18,20)