4-[3-azanyl-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-azanyl-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(2,5-dimethylphenyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C26H27N5O/c1-17-7-8-18(2)24(15-17)31-13-11-30(12-14-31)23-10-9-19(16-22(23)27)25-20-5-3-4-6-21(20)26(32)29-28-25/h3-10,15-16H,11-14,27H2,1-2H3,(H,29,32)