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

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-benzyl-phthalazin-1-one CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-benzylphthalazin-1-one Traditional Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-benzyl-phthalazin-1-one Formula: C28H32N4O3 MolecularWeight: 472.57868

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O3/c33-26(30-16-8-1-2-9-17-30)22-14-18-31(19-15-22)28(35)25-23-12-6-7-13-24(23)27(34)32(29-25)20-21-10-4-3-5-11-21/h3-7,10-13,22H,1-2,8-9,14-20H2