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

Systemtic Name: 2-(oxan-2-yloxymethyl)-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(tetrahydropyran-2-yloxymethyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(2-oxanyloxymethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(oxan-2-yloxymethyl)-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(tetrahydropyran-2-yloxymethyl)-1H-pyrimidine-5-carbonitrile Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=NC(=O)C(=C(N2)N3CCC4=CC=CC=C4CC3)C#N

Isomeric SMILES

C1CCOC(C1)OCC2=NC(=O)C(=C(N2)N3CCC4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C21H24N4O3/c22-13-17-20(25-10-8-15-5-1-2-6-16(15)9-11-25)23-18(24-21(17)26)14-28-19-7-3-4-12-27-19/h1-2,5-6,19H,3-4,7-12,14H2,(H,23,24,26)