2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidine-1-carbonyl]phthalazin-1-one Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H29N3O5/c1-2-3-12-30-26(32)21-7-5-4-6-20(21)24(28-30)27(33)29-13-10-18(11-14-29)25(31)19-8-9-22-23(17-19)35-16-15-34-22/h4-9,17-18H,2-3,10-16H2,1H3