2-[[2-cyclopropylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[2-(cyclopropanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[2-[cyclopropyl(oxo)methyl]-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[2-(cyclopropanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanone Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4/c1-19-4-3-5-23(16-19)27-25-17-24(9-8-21(25)10-11-31(27)28(34)22-6-7-22)35-18-26(33)30-14-12-29(13-15-30)20(2)32/h3-5,8-9,16-17,22,27H,6-7,10-15,18H2,1-2H3