N-(1-ethynylcyclohexyl)-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-(1-ethynylcyclohexyl)-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-(1-ethynylcyclohexyl)-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-(1-ethynylcyclohexyl)-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-(1-ethynylcyclohexyl)-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-(1-ethynylcyclohexyl)-4-keto-1H-quinazoline-2-carboxamide Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)NC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C#CC1(CCCCC1)NC(=O)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O2/c1-2-17(10-6-3-7-11-17)20-16(22)14-18-13-9-5-4-8-12(13)15(21)19-14/h1,4-5,8-9H,3,6-7,10-11H2,(H,20,22)(H,18,19,21)