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

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 3-methyl-1-[7-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[7-[2-keto-2-(4-methylpiperazino)ethoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C28H37N3O3 MolecularWeight: 463.61168

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c1-20(2)17-26(32)31-12-11-22-9-10-24(34-19-27(33)30-15-13-29(4)14-16-30)18-25(22)28(31)23-7-5-21(3)6-8-23/h5-10,18,20,28H,11-17,19H2,1-4H3