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

Systemtic Name: 1-[1-(3-methylphenyl)-7-[2-oxidanylidene-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[7-[2-(4-allylpiperazin-1-yl)-2-oxo-ethoxy]-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[1-(3-methylphenyl)-7-[2-oxo-2-(4-prop-2-enyl-1-piperazinyl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[1-(3-methylphenyl)-7-[2-oxo-2-(4-prop-2-enylpiperazin-1-yl)ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[7-[2-(4-allylpiperazino)-2-keto-ethoxy]-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3/c1-4-12-29-14-16-30(17-15-29)27(33)20-34-24-10-9-22-11-13-31(26(32)5-2)28(25(22)19-24)23-8-6-7-21(3)18-23/h4,6-10,18-19,28H,1,5,11-17,20H2,2-3H3