4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phthalazin-1-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H29N5O3/c1-2-3-8-15-30-24(32)20-10-5-4-9-19(20)23(28-30)25(33)29-16-13-18(14-17-29)31-22-12-7-6-11-21(22)27-26(31)34/h4-7,9-12,18H,2-3,8,13-17H2,1H3,(H,27,34)