4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-amyl-phthalazin-1-one Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C26H30N4O3/c1-3-4-7-14-30-25(32)23-9-6-5-8-22(23)24(27-30)26(33)29-17-15-28(16-18-29)21-12-10-20(11-13-21)19(2)31/h5-6,8-13H,3-4,7,14-18H2,1-2H3