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

Systemtic Name: 2-ethyl-4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-ethyl-4-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-ethyl-4-[[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-ethyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-ethyl-4-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CCC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CCC4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O2/c1-3-28-24(29)22-7-5-4-6-21(22)23(26-28)25(30)27-16-14-20(15-17-27)13-12-19-10-8-18(2)9-11-19/h4-11,20H,3,12-17H2,1-2H3