4-(benzotriazol-1-yl)-5-morpholin-4-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-morpholin-4-yl-benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-morpholino-phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-(4-morpholinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-morpholin-4-ylbenzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-morpholino-phthalonitrile Formula: C18H14N6O MolecularWeight: 330.34336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCCN1C2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H14N6O/c19-11-13-9-17(23-5-7-25-8-6-23)18(10-14(13)12-20)24-16-4-2-1-3-15(16)21-22-24/h1-4,9-10H,5-8H2