3-methyl-1-[1-(4-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 3-methyl-1-[1-(4-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 3-methyl-1-[7-[1-(4-methylpiperazine-1-carbonyl)propoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 3-methyl-1-[1-(4-methylphenyl)-7-[1-(4-methyl-1-piperazinyl)-1-oxobutan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 3-methyl-1-[1-(4-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]oxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 3-methyl-1-[7-[1-(4-methylpiperazine-1-carbonyl)propoxy]-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C30H41N3O3 MolecularWeight: 491.66484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O3/c1-6-27(30(35)32-17-15-31(5)16-18-32)36-25-12-11-23-13-14-33(28(34)19-21(2)3)29(26(23)20-25)24-9-7-22(4)8-10-24/h7-12,20-21,27,29H,6,13-19H2,1-5H3