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

Systemtic Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carbonitrile Openeye Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carbonitrile CAS Name: 2-[[3-(1-azepanyl)-2-quinoxalinyl]amino]-4-(4-methylphenyl)-3-thiophenecarbonitrile IUPAC Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carbonitrile Traditional Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4-(p-tolyl)thiophene-3-carbonitrile Formula: C26H25N5S MolecularWeight: 439.5752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC3=NC4=CC=CC=C4N=C3N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C#N)NC3=NC4=CC=CC=C4N=C3N5CCCCCC5

InChI

InChI=1S/C26H25N5S/c1-18-10-12-19(13-11-18)21-17-32-26(20(21)16-27)30-24-25(31-14-6-2-3-7-15-31)29-23-9-5-4-8-22(23)28-24/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,28,30)