N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[3-(2-thienyl)prop-2-enoyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(1-oxo-3-thiophen-2-ylprop-2-enyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-6-methyl-2-[1-[3-(2-thienyl)acryloyl]-4-piperidyl]nicotinamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C=CC4=CC=CS4

InChI

InChI=1S/C28H31N3O3S/c1-3-34-25-9-5-4-7-22(25)19-29-28(33)24-12-10-20(2)30-27(24)21-14-16-31(17-15-21)26(32)13-11-23-8-6-18-35-23/h4-13,18,21H,3,14-17,19H2,1-2H3,(H,29,33)