[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone

Systemtic Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone Openeye Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-1-piperidyl]-(2-methoxy-4-quinolyl)methanone CAS Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-1-piperidinyl]-(2-methoxy-4-quinolinyl)methanone IUPAC Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone Traditional Name: [4-[(3S,4S)-4-(3,4-dichlorobenzyl)-3-methylol-piperidino]piperidino]-(2-methoxy-4-quinolyl)methanone Formula: C29H33Cl2N3O3 MolecularWeight: 542.49662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(CC3)N4CCC(C(C4)CO)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(CC3)N4CC[C@@H]([C@@H](C4)CO)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H33Cl2N3O3/c1-37-28-16-24(23-4-2-3-5-27(23)32-28)29(36)33-12-9-22(10-13-33)34-11-8-20(21(17-34)18-35)14-19-6-7-25(30)26(31)15-19/h2-7,15-16,20-22,35H,8-14,17-18H2,1H3/t20-,21+/m1/s1