2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]isocarbostyril Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2/c1-16-6-7-18(23)14-20(16)24-10-12-25(13-11-24)21(27)15-26-9-8-17-4-2-3-5-19(17)22(26)28/h2-9,14H,10-13,15H2,1H3