N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)carbonyl-6-(3-methylphenyl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)carbonyl-6-(3-methylphenyl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorobenzoyl)-6-(m-tolyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)-oxomethyl]-6-(3-methylphenyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-6-(m-tolyl)-N-piperonyl-nipecotamide Formula: C28H27FN2O4 MolecularWeight: 474.523383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCC(CN2C(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C2CCC(CN2C(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H27FN2O4/c1-18-3-2-4-21(13-18)24-11-8-22(16-31(24)28(33)20-6-9-23(29)10-7-20)27(32)30-15-19-5-12-25-26(14-19)35-17-34-25/h2-7,9-10,12-14,22,24H,8,11,15-17H2,1H3,(H,30,32)