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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

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