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

Systemtic Name: 2-(2-ethoxyethylamino)-6-oxidanylidene-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-2-(2-ethoxyethylamino)-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 2-(2-ethoxyethylamino)-6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(2-ethoxyethylamino)-6-oxo-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-2-(2-ethoxyethylamino)-6-keto-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=NC(=C(C(=O)N1CC=C)C#N)N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CCOCCNC1=NC(=C(C(=O)N1CC=C)C#N)N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C22H27N5O2/c1-3-12-27-21(28)19(16-23)20(25-22(27)24-11-15-29-4-2)26-13-9-17-7-5-6-8-18(17)10-14-26/h3,5-8H,1,4,9-15H2,2H3,(H,24,25)