3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-2H-phthalazine-1,4-quinone Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H30N4O4/c28-20(11-16-27-23(31)19-8-4-3-7-18(19)21(29)24-27)25-14-9-17(10-15-25)22(30)26-12-5-1-2-6-13-26/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,24,29)