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

Systemtic Name: 6-oxidanylidene-2-(2-phenoxyethylamino)-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-6-oxo-2-(2-phenoxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-(2-phenoxyethylamino)-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 6-oxo-2-(2-phenoxyethylamino)-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-6-keto-2-(2-phenoxyethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=C(N=C1NCCOC2=CC=CC=C2)N3CCC4=CC=CC=C4CC3)C#N

Isomeric SMILES

C=CCN1C(=O)C(=C(N=C1NCCOC2=CC=CC=C2)N3CCC4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C26H27N5O2/c1-2-15-31-25(32)23(19-27)24(30-16-12-20-8-6-7-9-21(20)13-17-30)29-26(31)28-14-18-33-22-10-4-3-5-11-22/h2-11H,1,12-18H2,(H,28,29)