2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one

Systemtic Name: 2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one Openeye Name: 1-(4-allylpiperazin-1-yl)-2-[[2-propanoyl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one CAS Name: 2-[[1-(4-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enyl-1-piperazinyl)-1-butanone IUPAC Name: 2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-allylpiperazino)-2-[[2-propionyl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)CC)C=C2

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)C)C(=O)CC)C=C2

InChI

InChI=1S/C30H39N3O3/c1-5-15-31-17-19-32(20-18-31)30(35)27(6-2)36-25-13-12-23-14-16-33(28(34)7-3)29(26(23)21-25)24-10-8-22(4)9-11-24/h5,8-13,21,27,29H,1,6-7,14-20H2,2-4H3