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

Systemtic Name: 2-[[2-cyclopentylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[2-(cyclopentanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 2-[[2-[cyclopentyl(oxo)methyl]-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[2-(cyclopentanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazino)propan-1-one Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=C(CCN2C(=O)C4CCCC4)C=CC(=C3)OC(C)C(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2C3=C(CCN2C(=O)C4CCCC4)C=CC(=C3)OC(C)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C30H39N3O3/c1-21-7-6-10-25(19-21)28-27-20-26(36-22(2)29(34)32-17-15-31(3)16-18-32)12-11-23(27)13-14-33(28)30(35)24-8-4-5-9-24/h6-7,10-12,19-20,22,24,28H,4-5,8-9,13-18H2,1-3H3