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

Systemtic Name: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]isocarbostyril Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H27N3O2/c25-20(16-24-11-10-17-6-4-5-9-19(17)21(24)26)23-14-12-22(13-15-23)18-7-2-1-3-8-18/h4-6,9-11,18H,1-3,7-8,12-16H2