(3S)-N-[(1R)-1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]-3,5,5-trimethyl-hexanamide

Systemtic Name: (3S)-N-[(1R)-1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]-3,5,5-trimethyl-hexanamide Openeye Name: (3S)-N-[(1R)-1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]-3,5,5-trimethyl-hexanamide CAS Name: (3S)-N-[(1R)-1-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)ethyl]-3,5,5-trimethylhexanamide IUPAC Name: (3S)-N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3,5,5-trimethylhexanamide Traditional Name: (3S)-N-[(1R)-1-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)ethyl]-3,5,5-trimethyl-hexanamide Formula: C20H28ClN3O2 MolecularWeight: 377.90822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)CC(C)(C)C

Isomeric SMILES

C[C@H](CC(=O)N[C@H](C)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)CC(C)(C)C

InChI

InChI=1S/C20H28ClN3O2/c1-12(11-20(3,4)5)9-17(25)22-13(2)18-23-16-10-14(21)7-8-15(16)19(26)24(18)6/h7-8,10,12-13H,9,11H2,1-6H3,(H,22,25)/t12-,13-/m1/s1