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

Systemtic Name: 4-(4-methylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)phthalazin-1-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-oxo-2-(1-piperidinyl)ethyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one Traditional Name: 2-(2-keto-2-piperidino-ethyl)-4-(p-tolyl)phthalazin-1-one Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O2/c1-16-9-11-17(12-10-16)21-18-7-3-4-8-19(18)22(27)25(23-21)15-20(26)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3