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

Systemtic Name: 4-(phenylmethyl)-N-(5-phenyl-2-pyrrol-1-yl-thiophen-3-yl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-(5-phenyl-2-pyrrol-1-yl-3-thienyl)piperazine-1-carboxamide CAS Name: 4-(phenylmethyl)-N-[5-phenyl-2-(1-pyrrolyl)-3-thiophenyl]-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-(5-phenyl-2-pyrrol-1-ylthiophen-3-yl)piperazine-1-carboxamide Traditional Name: 4-benzyl-N-(5-phenyl-2-pyrrol-1-yl-3-thienyl)piperazine-1-carboxamide Formula: C26H26N4OS MolecularWeight: 442.57584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

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