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

Systemtic Name: 4-oxidanylidene-2-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

Isomeric SMILES

CCCC1=NC(=O)C(=C(N1)N2CCC3=CC=CC=C3CC2)C#N

InChI

InChI=1S/C18H20N4O/c1-2-5-16-20-17(15(12-19)18(23)21-16)22-10-8-13-6-3-4-7-14(13)9-11-22/h3-4,6-7H,2,5,8-11H2,1H3,(H,20,21,23)