4-(2-cyclohexylimino-4-methyl-pyridin-1-yl)carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-(2-cyclohexylimino-4-methyl-pyridin-1-yl)carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)phthalazin-1-one CAS Name: 4-[(2-cyclohexylimino-4-methyl-1-pyridinyl)-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(2-cyclohexylimino-4-methylpyridine-1-carbonyl)phthalazin-1-one Traditional Name: 2-benzyl-4-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-20-16-17-31(25(18-20)29-22-12-6-3-7-13-22)28(34)26-23-14-8-9-15-24(23)27(33)32(30-26)19-21-10-4-2-5-11-21/h2,4-5,8-11,14-18,22H,3,6-7,12-13,19H2,1H3