2-butyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H30N4O2/c1-4-5-13-29-24(30)21-11-7-6-10-20(21)23(26-29)25(31)28-16-14-27(15-17-28)22-12-8-9-18(2)19(22)3/h6-12H,4-5,13-17H2,1-3H3