4-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methylamino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methylamino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]methyl]-2H-phthalazin-1-one Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CNCC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CNCC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H25N5O/c1-18-12-13-19(2)25(14-18)32-17-21(26(31-32)20-8-4-3-5-9-20)15-28-16-24-22-10-6-7-11-23(22)27(33)30-29-24/h3-14,17,28H,15-16H2,1-2H3,(H,30,33)