2-[[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carbonitrile

Systemtic Name: 2-[[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carbonitrile Openeye Name: 2-[[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carbonitrile CAS Name: 2-[[3-(4-ethyl-1-piperazinyl)-2-quinoxalinyl]amino]-4-(4-methylphenyl)-3-thiophenecarbonitrile IUPAC Name: 2-[[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carbonitrile Traditional Name: 2-[[3-(4-ethylpiperazino)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carbonitrile Formula: C26H26N6S MolecularWeight: 454.58984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=CS4)C5=CC=C(C=C5)C)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2NC4=C(C(=CS4)C5=CC=C(C=C5)C)C#N

InChI

InChI=1S/C26H26N6S/c1-3-31-12-14-32(15-13-31)25-24(28-22-6-4-5-7-23(22)29-25)30-26-20(16-27)21(17-33-26)19-10-8-18(2)9-11-19/h4-11,17H,3,12-15H2,1-2H3,(H,28,30)