2-(azepan-1-ylmethyl)-1-(4-methylphenyl)butan-1-one

Systemtic Name: 2-(azepan-1-ylmethyl)-1-(4-methylphenyl)butan-1-one Openeye Name: 2-(azepan-1-ylmethyl)-1-(p-tolyl)butan-1-one CAS Name: 2-(1-azepanylmethyl)-1-(4-methylphenyl)-1-butanone IUPAC Name: 2-(azepan-1-ylmethyl)-1-(4-methylphenyl)butan-1-one Traditional Name: 2-(azepan-1-ylmethyl)-1-(p-tolyl)butan-1-one Formula: C18H27NO MolecularWeight: 273.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCCCC1)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CN1CCCCCC1)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H27NO/c1-3-16(14-19-12-6-4-5-7-13-19)18(20)17-10-8-15(2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3