N-(2-methoxyphenyl)-1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-methoxyphenyl)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)isonipecotamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

InChI

InChI=1S/C26H29N3O3S/c1-32-21-10-4-3-9-20(21)27-24(30)18-12-16-28(17-13-18)25(31)23-19-8-2-5-11-22(19)33-26(23)29-14-6-7-15-29/h3-4,6-7,9-10,14-15,18H,2,5,8,11-13,16-17H2,1H3,(H,27,30)