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

Systemtic Name: 6-oxidanylidene-2-(3-phenoxypropylamino)-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-6-oxo-2-(3-phenoxypropylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-(3-phenoxypropylamino)-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 6-oxo-2-(3-phenoxypropylamino)-1-prop-2-enyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-6-keto-2-(3-phenoxypropylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=C(N=C1NCCCOC2=CC=CC=C2)N3CCC4=CC=CC=C4CC3)C#N

Isomeric SMILES

C=CCN1C(=O)C(=C(N=C1NCCCOC2=CC=CC=C2)N3CCC4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C27H29N5O2/c1-2-16-32-26(33)24(20-28)25(31-17-13-21-9-6-7-10-22(21)14-18-31)30-27(32)29-15-8-19-34-23-11-4-3-5-12-23/h2-7,9-12H,1,8,13-19H2,(H,29,30)