3-methyl-1-(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(1-piperidin-2-ylethoxy)phenyl]butan-2-one

Systemtic Name: 3-methyl-1-(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(1-piperidin-2-ylethoxy)phenyl]butan-2-one Openeye Name: 1-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-[4-[1-(2-piperidyl)ethoxy]phenyl]butan-2-one CAS Name: 1-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-[4-[1-(2-piperidinyl)ethoxy]phenyl]-2-butanone IUPAC Name: 1-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-[4-(1-piperidin-2-ylethoxy)phenyl]butan-2-one Traditional Name: 1-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-[4-[1-(2-piperidyl)ethoxy]phenyl]butan-2-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1=CC=C(C=C1)OC(C)C2CCCCN2)N3CCC4=C(C3)C=CC(=C4)O

Isomeric SMILES

CC(C)C(=O)C(C1=CC=C(C=C1)OC(C)C2CCCCN2)N3CCC4=C(C3)C=CC(=C4)O

InChI

InChI=1S/C27H36N2O3/c1-18(2)27(31)26(29-15-13-21-16-23(30)10-7-22(21)17-29)20-8-11-24(12-9-20)32-19(3)25-6-4-5-14-28-25/h7-12,16,18-19,25-26,28,30H,4-6,13-15,17H2,1-3H3