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

Systemtic Name: 2-oxidanylidene-1-(3-oxidanylpropyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-(3-hydroxypropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-(3-hydroxypropyl)-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-(3-hydroxypropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(3-hydroxypropyl)-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CCCO)C#N)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CCCO)C#N)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O3S/c23-15-17-20(16-5-1-2-6-18(16)26(21(17)28)8-4-13-27)24-9-11-25(12-10-24)22(29)19-7-3-14-30-19/h1-3,5-7,14,27H,4,8-13H2