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

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[3-(2-thienyl)prop-2-enoyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-(1-oxo-3-thiophen-2-ylprop-2-enyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-[3-(2-thienyl)acryloyl]-4-piperidyl]nicotinamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C=CC5=CC=CS5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C=CC5=CC=CS5

InChI

InChI=1S/C28H27N5O2S/c1-20-4-10-25(28(35)31-22-5-7-23(8-6-22)33-17-14-29-19-33)27(30-20)21-12-15-32(16-13-21)26(34)11-9-24-3-2-18-36-24/h2-11,14,17-19,21H,12-13,15-16H2,1H3,(H,31,35)