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

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-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-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enyl-1-piperazinyl)-1-butanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-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-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one Formula: C30H36FN3O3 MolecularWeight: 505.623543

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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)F)C(=O)C5CC5)C=C2

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

InChI

InChI=1S/C30H36FN3O3/c1-3-14-32-16-18-33(19-17-32)30(36)27(4-2)37-25-12-9-21-13-15-34(29(35)23-5-6-23)28(26(21)20-25)22-7-10-24(31)11-8-22/h3,7-12,20,23,27-28H,1,4-6,13-19H2,2H3