6-chloranyl-2-oxidanylidene-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 6-chloranyl-2-oxidanylidene-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-benzyl-6-chloro-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 6-chloro-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(phenylmethyl)-3-quinolinecarbonitrile IUPAC Name: 1-benzyl-6-chloro-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-benzyl-6-chloro-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H21ClN4O2S/c27-19-8-9-22-20(15-19)24(21(16-28)25(32)31(22)17-18-5-2-1-3-6-18)29-10-12-30(13-11-29)26(33)23-7-4-14-34-23/h1-9,14-15H,10-13,17H2