N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(4-keto-1H-quinazolin-2-yl)butyramide Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H27N3O2/c1-13-7-5-10-16(14(13)2)22-19(24)12-6-11-18-21-17-9-4-3-8-15(17)20(25)23-18/h3-4,8-9,13-14,16H,5-7,10-12H2,1-2H3,(H,22,24)(H,21,23,25)/t13-,14+,16+/m0/s1