2-[1-[6-(1-methylindol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[1-[6-(1-methylindol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-1,4-dihydroisoquinolin-3-one CAS Name: 2-[1-[6-[(1-methyl-3-indolyl)-oxomethyl]-4-pyrimidinyl]-4-piperidinyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1,4-dihydroisoquinolin-3-one Traditional Name: 2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-1,4-dihydroisoquinolin-3-one Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CC6=CC=CC=C6CC5=O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CC6=CC=CC=C6CC5=O

InChI

InChI=1S/C28H27N5O2/c1-31-17-23(22-8-4-5-9-25(22)31)28(35)24-15-26(30-18-29-24)32-12-10-21(11-13-32)33-16-20-7-3-2-6-19(20)14-27(33)34/h2-9,15,17-18,21H,10-14,16H2,1H3