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

Systemtic Name: 1,2-dimethyl-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1,2-dimethyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1,2-dimethyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1,2-dimethyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 6-keto-1,2-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(C(=O)N1C)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C17H18N4O/c1-12-19-16(15(11-18)17(22)20(12)2)21-9-7-13-5-3-4-6-14(13)8-10-21/h3-6H,7-10H2,1-2H3