1-(2,2-dimethylpropyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-(2,2-dimethylpropyl)-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 2-keto-1-neopentyl-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CC=CC=C2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CN1C2=CC=CC=C2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N4O2S/c1-24(2,3)16-28-19-8-5-4-7-17(19)21(18(15-25)22(28)29)26-10-12-27(13-11-26)23(30)20-9-6-14-31-20/h4-9,14H,10-13,16H2,1-3H3