2-[[2-cyclopropylcarbonyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazino)propan-1-one Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4CC4)C=CC(=C3)OC(C)C(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4CC4)C=CC(=C3)OC(C)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C28H35N3O3/c1-19-4-6-22(7-5-19)26-25-18-24(34-20(2)27(32)30-16-14-29(3)15-17-30)11-10-21(25)12-13-31(26)28(33)23-8-9-23/h4-7,10-11,18,20,23,26H,8-9,12-17H2,1-3H3