4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C

InChI

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