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

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]phthalazin-1-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidino]methyl]phthalazin-1-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c26-20(24-11-5-1-2-6-12-24)17-9-13-23(14-10-17)16-25-21(27)19-8-4-3-7-18(19)15-22-25/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2