N-[2-(4-methylphenyl)ethyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(p-tolyl)ethyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-(p-tolyl)ethyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-18-4-6-19(7-5-18)8-12-25-23(28)20-9-15-27(16-10-20)24(29)22-21(11-17-30-22)26-13-2-3-14-26/h2-7,11,13-14,17,20H,8-10,12,15-16H2,1H3,(H,25,28)