2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-one

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-one Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-one CAS Name: 2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinone IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-methylpiperazino)ethyl]-4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-one Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H33N5O4S/c1-20-10-11-21(18-24(20)37(35,36)31-12-6-3-7-13-31)26-22-8-4-5-9-23(22)27(34)32(28-26)19-25(33)30-16-14-29(2)15-17-30/h4-5,8-11,18H,3,6-7,12-17,19H2,1-2H3