2-[5-[4-(4-chlorophenyl)phenyl]-3,3-dimethyl-5-oxidanylidene-pentyl]phthalazin-1-one

Systemtic Name: 2-[5-[4-(4-chlorophenyl)phenyl]-3,3-dimethyl-5-oxidanylidene-pentyl]phthalazin-1-one Openeye Name: 2-[5-[4-(4-chlorophenyl)phenyl]-3,3-dimethyl-5-oxo-pentyl]phthalazin-1-one CAS Name: 2-[5-[4-(4-chlorophenyl)phenyl]-3,3-dimethyl-5-oxopentyl]-1-phthalazinone IUPAC Name: 2-[5-[4-(4-chlorophenyl)phenyl]-3,3-dimethyl-5-oxopentyl]phthalazin-1-one Traditional Name: 2-[5-[4-(4-chlorophenyl)phenyl]-5-keto-3,3-dimethyl-pentyl]phthalazin-1-one Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C(=O)C2=CC=CC=C2C=N1)CC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(CCN1C(=O)C2=CC=CC=C2C=N1)CC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClN2O2/c1-27(2,15-16-30-26(32)24-6-4-3-5-22(24)18-29-30)17-25(31)21-9-7-19(8-10-21)20-11-13-23(28)14-12-20/h3-14,18H,15-17H2,1-2H3