5-chloranyl-2-(4-methoxyphenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one

Systemtic Name: 5-chloranyl-2-(4-methoxyphenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one Openeye Name: 5-chloro-2-(4-methoxyphenyl)-3-[2-oxo-2-(1-piperidyl)ethyl]isoindolin-1-one CAS Name: 5-chloro-2-(4-methoxyphenyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 5-chloro-2-(4-methoxyphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3H-isoindol-1-one Traditional Name: 5-chloro-3-(2-keto-2-piperidino-ethyl)-2-(4-methoxyphenyl)isoindolin-1-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)Cl)CC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)Cl)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H23ClN2O3/c1-28-17-8-6-16(7-9-17)25-20(14-21(26)24-11-3-2-4-12-24)19-13-15(23)5-10-18(19)22(25)27/h5-10,13,20H,2-4,11-12,14H2,1H3