2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-methyl-3-(4-phenylpiperazino)sulfonyl-phenyl]phthalazin-1-one Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S/c1-19-12-13-20(25-22-10-6-7-11-23(22)26(31)28(2)27-25)18-24(19)34(32,33)30-16-14-29(15-17-30)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3