4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C(C)C

InChI

InChI=1S/C26H31N3O2/c1-18(2)29-25(30)23-7-5-4-6-22(23)24(27-29)26(31)28-16-14-21(15-17-28)13-12-20-10-8-19(3)9-11-20/h4-11,18,21H,12-17H2,1-3H3