(6E)-6-[[4-(diethylamino)phenyl]methylidene]-7-ethoxy-5-methyl-7-oxidanyl-1H-1,4-diazepine-2,3-dicarbonitrile

Systemtic Name: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-7-ethoxy-5-methyl-7-oxidanyl-1H-1,4-diazepine-2,3-dicarbonitrile Openeye Name: (6E)-6-[[4-(diethylamino)phenyl]methylene]-7-ethoxy-7-hydroxy-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile CAS Name: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-7-ethoxy-7-hydroxy-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile IUPAC Name: (6E)-6-[[4-(diethylamino)phenyl]methylidene]-7-ethoxy-7-hydroxy-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile Traditional Name: (6E)-6-[4-(diethylamino)benzylidene]-7-ethoxy-7-hydroxy-5-methyl-1H-1,4-diazepine-2,3-dicarbonitrile Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C2C(=NC(=C(NC2(O)OCC)C#N)C#N)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=NC(=C(NC2(O)OCC)C#N)C#N)C

InChI

InChI=1S/C21H25N5O2/c1-5-26(6-2)17-10-8-16(9-11-17)12-18-15(4)24-19(13-22)20(14-23)25-21(18,27)28-7-3/h8-12,25,27H,5-7H2,1-4H3/b18-12+