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

Systemtic Name: 4-oxidanylidene-2-(2-phenoxyethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(2-phenoxyethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(2-phenoxyethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(2-phenoxyethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(2-phenoxyethylamino)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)NCCOC4=CC=CC=C4)C#N

Isomeric SMILES

C1CN(CCC2=CC=CC=C21)C3=C(C(=O)N=C(N3)NCCOC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H23N5O2/c24-16-20-21(28-13-10-17-6-4-5-7-18(17)11-14-28)26-23(27-22(20)29)25-12-15-30-19-8-2-1-3-9-19/h1-9H,10-15H2,(H2,25,26,27,29)