4-(azepan-1-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile

Systemtic Name: 4-(azepan-1-yl)-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-ylidene)butanenitrile Openeye Name: 4-(azepan-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile CAS Name: 4-(1-azepanyl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile IUPAC Name: 4-(azepan-1-yl)-3-oxo-2-(4-oxo-1H-quinazolin-2-ylidene)butanenitrile Traditional Name: 4-(azepan-1-yl)-3-keto-2-(4-keto-1H-quinazolin-2-ylidene)butyronitrile Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

Isomeric SMILES

C1CCCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

InChI

InChI=1S/C18H20N4O2/c19-11-14(16(23)12-22-9-5-1-2-6-10-22)17-20-15-8-4-3-7-13(15)18(24)21-17/h3-4,7-8,20H,1-2,5-6,9-10,12H2,(H,21,24)