1-[7-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 1-[7-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[7-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[7-[2-(4-acetyl-1-piperazinyl)-2-oxoethoxy]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[7-[2-(4-acetylpiperazino)-2-keto-ethoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=C(C=C2)OCC(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=C(C=C2)OCC(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C27H33N3O4/c1-4-25(32)30-12-11-21-9-10-23(17-24(21)27(30)22-7-5-19(2)6-8-22)34-18-26(33)29-15-13-28(14-16-29)20(3)31/h5-10,17,27H,4,11-16,18H2,1-3H3