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

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-oxidanylidene-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 1-[7-[2-(4-allylpiperazin-1-yl)-2-oxo-ethoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-oxo-2-(4-prop-2-enyl-1-piperazinyl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-oxo-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[7-[2-(4-allylpiperazino)-2-keto-ethoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC(=O)N4CCN(CC4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CC(C)C)C=CC(=C3)OCC(=O)N4CCN(CC4)CC=C

InChI

InChI=1S/C30H39N3O3/c1-5-13-31-15-17-32(18-16-31)29(35)21-36-26-11-10-24-12-14-33(28(34)19-22(2)3)30(27(24)20-26)25-8-6-23(4)7-9-25/h5-11,20,22,30H,1,12-19,21H2,2-4H3