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

Systemtic Name: 2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[[1-(m-tolyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one CAS Name: 2-[[1-(3-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: 2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-methylpiperazino)-2-[[1-(m-tolyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one Formula: C28H37N3O3 MolecularWeight: 463.61168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O3/c1-5-25(28(33)30-16-14-29(4)15-17-30)34-23-11-10-21-12-13-31(26(32)6-2)27(24(21)19-23)22-9-7-8-20(3)18-22/h7-11,18-19,25,27H,5-6,12-17H2,1-4H3