4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H28N4O3/c27-20(15-19-17-7-3-4-8-18(17)21(28)24-23-19)25-13-9-16(10-14-25)22(29)26-11-5-1-2-6-12-26/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,24,28)