2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-piperidinyl]-N-[4-(1-imidazolyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[3-(1,3-benzodioxol-5-yl)acryloyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C31H29N5O4 MolecularWeight: 535.59306

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)C=CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H29N5O4/c1-21-2-9-26(31(38)34-24-5-7-25(8-6-24)36-17-14-32-19-36)30(33-21)23-12-15-35(16-13-23)29(37)11-4-22-3-10-27-28(18-22)40-20-39-27/h2-11,14,17-19,23H,12-13,15-16,20H2,1H3,(H,34,38)