1-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1,2,3-triazole-4-carbonitrile

Systemtic Name: 1-(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-1,2,3-triazole-4-carbonitrile Openeye Name: 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)triazole-4-carbonitrile CAS Name: 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-4-triazolecarbonitrile IUPAC Name: 1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)triazole-4-carbonitrile Traditional Name: 1-(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)triazole-4-carbonitrile Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1N3C=C(N=N3)C#N

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1N3C=C(N=N3)C#N

InChI

InChI=1S/C13H11N5O/c14-7-10-8-18(17-16-10)12-6-5-9-3-1-2-4-11(9)15-13(12)19/h1-4,8,12H,5-6H2,(H,15,19)