1-methyl-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile

Systemtic Name: 1-methyl-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 6-keto-1-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CN1C=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C16H16N4O/c1-19-11-18-15(14(10-17)16(19)21)20-8-6-12-4-2-3-5-13(12)7-9-20/h2-5,11H,6-9H2,1H3