2,2-dimethyl-1-[7-[2-oxidanylidene-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[7-[2-oxidanylidene-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[7-[2-(4-allylpiperazin-1-yl)-2-oxo-ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[7-[2-oxo-2-(4-prop-2-enyl-1-piperazinyl)ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[7-[2-oxo-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[7-[2-(4-allylpiperazino)-2-keto-ethoxy]-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O3/c1-5-14-30-16-18-31(19-17-30)26(33)21-35-24-12-11-22-13-15-32(28(34)29(2,3)4)27(25(22)20-24)23-9-7-6-8-10-23/h5-12,20,27H,1,13-19,21H2,2-4H3