2-butyl-4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]phthalazin-1-one Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CCC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)CCC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H35N3O4/c1-4-5-14-31-27(32)25-9-7-6-8-24(25)26(29-31)28(33)30-15-12-20(13-16-30)10-11-21-17-22(34-2)19-23(18-21)35-3/h6-9,17-20H,4-5,10-16H2,1-3H3