1-[7-[1-(4-ethanoylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]oxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[7-[1-(4-ethanoylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]oxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one Openeye Name: 1-[7-[2-(4-acetylpiperazin-1-yl)-1-methyl-2-oxo-ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one CAS Name: 1-[7-[1-(4-acetyl-1-piperazinyl)-1-oxopropan-2-yl]oxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-1-propanone IUPAC Name: 1-[7-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one Traditional Name: 1-[7-[2-(4-acetylpiperazino)-2-keto-1-methyl-ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-19(2)27(33)31-13-12-22-10-11-24(18-25(22)26(31)23-8-6-5-7-9-23)35-20(3)28(34)30-16-14-29(15-17-30)21(4)32/h5-11,18-20,26H,12-17H2,1-4H3