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

Systemtic Name: 6-oxidanylidene-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-6-keto-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

C=CCN1C=NC(=C(C1=O)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C18H18N4O/c1-2-9-22-13-20-17(16(12-19)18(22)23)21-10-7-14-5-3-4-6-15(14)8-11-21/h2-6,13H,1,7-11H2