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

Systemtic Name: N-(2-methylcyclohexyl)-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2-methylcyclohexyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-methylcyclohexyl)-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-methylcyclohexyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC1CCCCC1NC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H29N3O2S/c1-16-6-2-3-7-18(16)23-21(26)17-8-13-25(14-9-17)22(27)20-19(10-15-28-20)24-11-4-5-12-24/h4-5,10-12,15-18H,2-3,6-9,13-14H2,1H3,(H,23,26)