2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Openeye Name: 2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-piperidyl]-6-methyl-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[1-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-4-piperidinyl]-6-methyl-N-(2-thiophen-2-ylethyl)-3-pyridinecarboxamide IUPAC Name: 2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-piperidyl]-6-methyl-N-[2-(2-thienyl)ethyl]nicotinamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCC2=CC=CS2)C3CCN(CC3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCC2=CC=CS2)C3CCN(CC3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N3O4S/c1-19-4-7-23(28(33)29-13-10-22-3-2-16-36-22)27(30-19)21-11-14-31(15-12-21)26(32)9-6-20-5-8-24-25(17-20)35-18-34-24/h2-5,7-8,16-17,21H,6,9-15,18H2,1H3,(H,29,33)