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

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(azepane-1-carbonyl)-1-piperidyl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(azepane-1-carbonyl)piperidino]-2-keto-ethyl]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)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

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