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

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-allylpiperazin-1-yl)-2-[[2-(cyclopropanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-allylpiperazino)-2-[[2-(cyclopropanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propan-1-one Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O3/c1-4-13-31-15-17-32(18-16-31)29(34)22(3)36-26-11-10-23-12-14-33(30(35)24-8-9-24)28(27(23)20-26)25-7-5-6-21(2)19-25/h4-7,10-11,19-20,22,24,28H,1,8-9,12-18H2,2-3H3