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

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3/c32-25(29-16-8-1-2-9-17-29)20-14-18-30(19-15-20)27(34)24-22-12-6-7-13-23(22)26(33)31(28-24)21-10-4-3-5-11-21/h3-7,10-13,20H,1-2,8-9,14-19H2