5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-2-prop-2-enyl-isoquinolin-1-one

Systemtic Name: 5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-2-prop-2-enyl-isoquinolin-1-one Openeye Name: 2-allyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]isoquinolin-1-one CAS Name: 5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-prop-2-enyl-1-isoquinolinone IUPAC Name: 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2-prop-2-enylisoquinolin-1-one Traditional Name: 2-allyl-5-[2-keto-2-(4-phenylpiperazino)ethoxy]isocarbostyril Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c1-2-12-27-13-11-20-21(24(27)29)9-6-10-22(20)30-18-23(28)26-16-14-25(15-17-26)19-7-4-3-5-8-19/h2-11,13H,1,12,14-18H2