1-[(4,6-dimethyl-3-pyrrol-1-yl-1-benzothiophen-2-yl)carbonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4,6-dimethyl-3-pyrrol-1-yl-1-benzothiophen-2-yl)carbonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide Openeye Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-benzothiophene-2-carbonyl)-N-(2-fluorophenyl)piperidine-4-carboxamide CAS Name: 1-[[4,6-dimethyl-3-(1-pyrrolyl)-1-benzothiophen-2-yl]-oxomethyl]-N-(2-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-1-benzothiophene-2-carbonyl)-N-(2-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-benzothiophene-2-carbonyl)-N-(2-fluorophenyl)isonipecotamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=C2N3C=CC=C3)C(=O)N4CCC(CC4)C(=O)NC5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=C2N3C=CC=C3)C(=O)N4CCC(CC4)C(=O)NC5=CC=CC=C5F)C

InChI

InChI=1S/C27H26FN3O2S/c1-17-15-18(2)23-22(16-17)34-25(24(23)30-11-5-6-12-30)27(33)31-13-9-19(10-14-31)26(32)29-21-8-4-3-7-20(21)28/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3,(H,29,32)