2-[2-(oxan-2-yloxy)ethyl]-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(oxan-2-yloxy)ethyl]-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(2-tetrahydropyran-2-yloxyethyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(2-oxanyloxy)ethyl]-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(oxan-2-yloxy)ethyl]-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(2-tetrahydropyran-2-yloxyethyl)-1H-pyrimidine-5-carbonitrile Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCC2=NC(=O)C(=C(N2)N3CCC4=CC=CC=C4CC3)C#N

Isomeric SMILES

C1CCOC(C1)OCCC2=NC(=O)C(=C(N2)N3CCC4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C22H26N4O3/c23-15-18-21(26-11-8-16-5-1-2-6-17(16)9-12-26)24-19(25-22(18)27)10-14-29-20-7-3-4-13-28-20/h1-2,5-6,20H,3-4,7-14H2,(H,24,25,27)