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

Systemtic Name: 6-oxidanylidene-1-prop-2-enyl-2-(pyridin-3-ylmethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Openeye Name: 1-allyl-6-oxo-2-(3-pyridylmethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile CAS Name: 6-oxo-1-prop-2-enyl-2-(3-pyridinylmethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-5-pyrimidinecarbonitrile IUPAC Name: 6-oxo-1-prop-2-enyl-2-(pyridin-3-ylmethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Traditional Name: 1-allyl-6-keto-2-(3-pyridylmethylamino)-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile Formula: C24H24N6O MolecularWeight: 412.48696

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=C(N=C1NCC2=CN=CC=C2)N3CCC4=CC=CC=C4CC3)C#N

Isomeric SMILES

C=CCN1C(=O)C(=C(N=C1NCC2=CN=CC=C2)N3CCC4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C24H24N6O/c1-2-12-30-23(31)21(15-25)22(28-24(30)27-17-18-6-5-11-26-16-18)29-13-9-19-7-3-4-8-20(19)10-14-29/h2-8,11,16H,1,9-10,12-14,17H2,(H,27,28)