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

Systemtic Name: 4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(benzofuran-2-carbonyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(benzofuran-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N4O4/c1-2-3-8-13-31-25(32)21-11-6-5-10-20(21)24(28-31)27(34)30-16-14-29(15-17-30)26(33)23-18-19-9-4-7-12-22(19)35-23/h4-7,9-12,18H,2-3,8,13-17H2,1H3