3-[3,5-dimethyl-4-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-4-[3-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-oxo-propyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-4-[3-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-oxopropyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-4-[3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-keto-3-[4-(2-naphthylsulfonyl)piperazino]propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N5O3S/c1-19-24(20(2)30(27-19)13-5-12-26)10-11-25(31)28-14-16-29(17-15-28)34(32,33)23-9-8-21-6-3-4-7-22(21)18-23/h3-4,6-9,18H,5,10-11,13-17H2,1-2H3