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

Systemtic Name: 1-(cyanomethyl)-2-methyl-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-(cyanomethyl)-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1-(cyanomethyl)-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1-(cyanomethyl)-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-(cyanomethyl)-6-keto-2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC#N)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC#N)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H17N5O/c1-13-21-17(16(12-20)18(24)23(13)11-8-19)22-9-6-14-4-2-3-5-15(14)7-10-22/h2-5H,6-7,9-11H2,1H3