3-methyl-1-[1-(4-methylphenyl)-7-[1-oxidanylidene-1-(4-prop-2-enylpiperazin-1-yl)butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-[1-oxidanylidene-1-(4-prop-2-enylpiperazin-1-yl)butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 1-[7-[1-(4-allylpiperazine-1-carbonyl)propoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-7-[1-oxo-1-(4-prop-2-enyl-1-piperazinyl)butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-[1-oxo-1-(4-prop-2-enylpiperazin-1-yl)butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[7-[1-(4-allylpiperazine-1-carbonyl)propoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C32H43N3O3 MolecularWeight: 517.70212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)CC(C)C)C=C2

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)CC(C)C)C=C2

InChI

InChI=1S/C32H43N3O3/c1-6-15-33-17-19-34(20-18-33)32(37)29(7-2)38-27-13-12-25-14-16-35(30(36)21-23(3)4)31(28(25)22-27)26-10-8-24(5)9-11-26/h6,8-13,22-23,29,31H,1,7,14-21H2,2-5H3