N-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-4-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: N-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)-4-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)piperazine-1-carboxamide CAS Name: N-[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)piperazine-1-carboxamide Traditional Name: 4-benzyl-N-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)piperazine-1-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1NC(=O)N2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1NC(=O)N2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C

InChI

InChI=1S/C22H26N4OS/c1-17-18(2)28-21(25-10-6-7-11-25)20(17)23-22(27)26-14-12-24(13-15-26)16-19-8-4-3-5-9-19/h3-11H,12-16H2,1-2H3,(H,23,27)