2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-methyl-isoquinolin-1-one CAS Name: 2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-3-methyl-1-isoquinolinone IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one Traditional Name: 2-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-3-methyl-isocarbostyril Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N3O3/c1-17-15-18-5-3-4-6-21(18)23(28)26(17)16-22(27)25-13-11-24(12-14-25)19-7-9-20(29-2)10-8-19/h3-10,15H,11-14,16H2,1-2H3