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

Systemtic Name: [3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [3-benzyl-3-(hydroxymethyl)-1-piperidyl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [3-(hydroxymethyl)-3-(phenylmethyl)-1-piperidinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: (3-benzyl-3-methylol-piperidino)-[2-(3-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=CN=CC=C4)(CC5=CC=CC=C5)CO

Isomeric SMILES

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

InChI

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