3-phenyl-4-(phenylmethyl)-N-(2-pyrrol-1-ylthiophen-3-yl)piperazine-1-carboxamide

Systemtic Name: 3-phenyl-4-(phenylmethyl)-N-(2-pyrrol-1-ylthiophen-3-yl)piperazine-1-carboxamide Openeye Name: 4-benzyl-3-phenyl-N-(2-pyrrol-1-yl-3-thienyl)piperazine-1-carboxamide CAS Name: 3-phenyl-4-(phenylmethyl)-N-[2-(1-pyrrolyl)-3-thiophenyl]-1-piperazinecarboxamide IUPAC Name: 4-benzyl-3-phenyl-N-(2-pyrrol-1-ylthiophen-3-yl)piperazine-1-carboxamide Traditional Name: 4-benzyl-3-phenyl-N-(2-pyrrol-1-yl-3-thienyl)piperazine-1-carboxamide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)NC2=C(SC=C2)N3C=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(CN1C(=O)NC2=C(SC=C2)N3C=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c31-26(27-23-13-18-32-25(23)28-14-7-8-15-28)30-17-16-29(19-21-9-3-1-4-10-21)24(20-30)22-11-5-2-6-12-22/h1-15,18,24H,16-17,19-20H2,(H,27,31)