2-[[2-cyclopropylcarbonyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-isopropylpiperazin-1-yl)propan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-propan-2-yl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-isopropylpiperazino)propan-1-one Formula: C30H39N3O3 MolecularWeight: 489.64896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4CC4)C=CC(=C3)OC(C)C(=O)N5CCN(CC5)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4CC4)C=CC(=C3)OC(C)C(=O)N5CCN(CC5)C(C)C

InChI

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