2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]isocarbostyril Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O3/c1-17(27)18-6-8-20(9-7-18)24-12-14-25(15-13-24)22(28)16-26-11-10-19-4-2-3-5-21(19)23(26)29/h2-11H,12-16H2,1H3