1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one Openeye Name: 3-(3-hydroxyphenyl)-1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]prop-2-en-1-one CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-3-(3-hydroxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one Traditional Name: 3-(3-hydroxyphenyl)-1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]prop-2-en-1-one Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C=CC5=CC(=CC=C5)O

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C=CC5=CC(=CC=C5)O

InChI

InChI=1S/C29H29N3O3/c1-20-9-11-26(29(35)32-18-23-6-2-3-7-24(23)19-32)28(30-20)22-13-15-31(16-14-22)27(34)12-10-21-5-4-8-25(33)17-21/h2-12,17,22,33H,13-16,18-19H2,1H3