3-[3,5-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(4-methylpiperazino)sulfonylpiperazino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C20H33N7O3S MolecularWeight: 451.58612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H33N7O3S/c1-17-19(18(2)27(22-17)8-4-7-21)5-6-20(28)24-11-15-26(16-12-24)31(29,30)25-13-9-23(3)10-14-25/h4-6,8-16H2,1-3H3