4-(4-chlorophenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-oxo-2-(1-piperidinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-(2-keto-2-piperidino-ethyl)phthalazin-1-one Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2/c22-16-10-8-15(9-11-16)20-17-6-2-3-7-18(17)21(27)25(23-20)14-19(26)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2