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

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H26N4O3/c26-19-17-8-4-3-7-16(17)18(22-23-19)21(28)25-13-9-15(10-14-25)20(27)24-11-5-1-2-6-12-24/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,23,26)