2-[4-[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]piperazino]sulfonylbenzonitrile Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H25N5O4S/c25-18-20-8-4-5-9-22(20)34(32,33)28-16-14-27(15-17-28)23(30)10-11-24(31)29-13-12-21(26-29)19-6-2-1-3-7-19/h1-9H,10-17H2