2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile

Systemtic Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile Openeye Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile CAS Name: 2-[[3-(1-azepanyl)-2-quinoxalinyl]amino]-4,5-dimethyl-3-thiophenecarbonitrile IUPAC Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carbonitrile Traditional Name: 2-[[3-(azepan-1-yl)quinoxalin-2-yl]amino]-4,5-dimethyl-thiophene-3-carbonitrile Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC2=NC3=CC=CC=C3N=C2N4CCCCCC4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC2=NC3=CC=CC=C3N=C2N4CCCCCC4)C

InChI

InChI=1S/C21H23N5S/c1-14-15(2)27-21(16(14)13-22)25-19-20(26-11-7-3-4-8-12-26)24-18-10-6-5-9-17(18)23-19/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,23,25)