2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(4-methylphenyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[4-(azepan-1-ylmethyl)-1-piperidyl]-N-(p-tolyl)propanamide CAS Name: 2-[4-(1-azepanylmethyl)-1-piperidinyl]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[4-(azepan-1-ylmethyl)piperidino]-N-(p-tolyl)propionamide Formula: C22H35N3O MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C22H35N3O/c1-18-7-9-21(10-8-18)23-22(26)19(2)25-15-11-20(12-16-25)17-24-13-5-3-4-6-14-24/h7-10,19-20H,3-6,11-17H2,1-2H3,(H,23,26)