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

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(o-tolylmethyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-methylbenzyl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-6-2-3-7-19(17)16-24-22(27)18-8-13-26(14-9-18)23(28)21-20(10-15-29-21)25-11-4-5-12-25/h2-7,10-12,15,18H,8-9,13-14,16H2,1H3,(H,24,27)