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

Systemtic Name: 1-(methoxymethyl)-6-oxidanylidene-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-(methoxymethyl)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 1-(methoxymethyl)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 1-(methoxymethyl)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 6-keto-1-(methoxymethyl)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

COCN1C=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C17H18N4O2/c1-23-12-21-11-19-16(15(10-18)17(21)22)20-8-6-13-4-2-3-5-14(13)7-9-20/h2-5,11H,6-9,12H2,1H3