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

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

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CCC4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CCC4=CC=C(C=C4)C

InChI

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