2-(2-methylpropyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(2-methylpropyl)-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-isobutyl-phthalazin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-isobutyl-phthalazin-1-one Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-18(2)17-28-24(29)22-11-7-6-10-21(22)23(26-28)25(30)27-14-12-20(13-15-27)16-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3