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

Systemtic Name: 4-(2-cyclohexylimino-4-methyl-pyridin-1-yl)carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)-2-phenyl-phthalazin-1-one CAS Name: 4-[(2-cyclohexylimino-4-methyl-1-pyridinyl)-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-(2-cyclohexylimino-4-methylpyridine-1-carbonyl)-2-phenylphthalazin-1-one Traditional Name: 4-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)-2-phenyl-phthalazin-1-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2/c1-19-16-17-30(24(18-19)28-20-10-4-2-5-11-20)27(33)25-22-14-8-9-15-23(22)26(32)31(29-25)21-12-6-3-7-13-21/h3,6-9,12-18,20H,2,4-5,10-11H2,1H3