N-(4-phenylbutan-2-yl)-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-phenylbutan-2-yl)-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-N-(4-phenylbutan-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-phenylbutan-2-yl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19(9-10-20-7-3-2-4-8-20)26-24(29)21-11-16-28(17-12-21)25(30)23-22(13-18-31-23)27-14-5-6-15-27/h2-8,13-15,18-19,21H,9-12,16-17H2,1H3,(H,26,29)