[3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

Systemtic Name: [3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Openeye Name: [3-benzyl-3-(hydroxymethyl)-1-piperidyl]-[2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [3-(hydroxymethyl)-3-(phenylmethyl)-1-piperidinyl]-(2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: (3-benzyl-3-methylol-piperidino)-[2-(4-pyridyl)-4-quinolyl]methanone Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)(CC5=CC=CC=C5)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)(CC5=CC=CC=C5)CO

InChI

InChI=1S/C28H27N3O2/c32-20-28(18-21-7-2-1-3-8-21)13-6-16-31(19-28)27(33)24-17-26(22-11-14-29-15-12-22)30-25-10-5-4-9-23(24)25/h1-5,7-12,14-15,17,32H,6,13,16,18-20H2