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

Systemtic Name: N-(phenylmethyl)-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-21(23-16-17-6-2-1-3-7-17)18-8-13-25(14-9-18)22(27)20-19(10-15-28-20)24-11-4-5-12-24/h1-7,10-12,15,18H,8-9,13-14,16H2,(H,23,26)