[2-[3-(4-isoquinolin-4-yl-4-oxidanyl-piperidin-1-yl)-3-oxidanyl-propoxy]-5-methyl-phenyl]-phenyl-methanone

Systemtic Name: [2-[3-(4-isoquinolin-4-yl-4-oxidanyl-piperidin-1-yl)-3-oxidanyl-propoxy]-5-methyl-phenyl]-phenyl-methanone Openeye Name: [2-[3-hydroxy-3-[4-hydroxy-4-(4-isoquinolyl)-1-piperidyl]propoxy]-5-methyl-phenyl]-phenyl-methanone CAS Name: [2-[3-hydroxy-3-[4-hydroxy-4-(4-isoquinolinyl)-1-piperidinyl]propoxy]-5-methylphenyl]-phenylmethanone IUPAC Name: [2-[3-hydroxy-3-(4-hydroxy-4-isoquinolin-4-ylpiperidin-1-yl)propoxy]-5-methylphenyl]-phenylmethanone Traditional Name: [2-[3-hydroxy-3-[4-hydroxy-4-(4-isoquinolyl)piperidino]propoxy]-5-methyl-phenyl]-phenyl-methanone Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(N2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-22-11-12-28(26(19-22)30(35)23-7-3-2-4-8-23)37-18-13-29(34)33-16-14-31(36,15-17-33)27-21-32-20-24-9-5-6-10-25(24)27/h2-12,19-21,29,34,36H,13-18H2,1H3