2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]isocarbostyril Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H25N3O2/c1-17-6-5-9-21(18(17)2)24-12-14-25(15-13-24)22(27)16-26-11-10-19-7-3-4-8-20(19)23(26)28/h3-11H,12-16H2,1-2H3