2-cyclopropyl-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-cyclopropyl-4-oxidanylidene-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-cyclopropyl-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-cyclopropyl-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-cyclopropyl-4-oxo-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-cyclopropyl-4-keto-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C18H18N4O MolecularWeight: 306.36172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=O)C(=C(N2)N3CCC4=CC=CC=C4CC3)C#N

Isomeric SMILES

C1CC1C2=NC(=O)C(=C(N2)N3CCC4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C18H18N4O/c19-11-15-17(20-16(14-5-6-14)21-18(15)23)22-9-7-12-3-1-2-4-13(12)8-10-22/h1-4,14H,5-10H2,(H,20,21,23)