5-tert-butyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one

Systemtic Name: 5-tert-butyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one Openeye Name: 5-tert-butyl-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one CAS Name: 5-tert-butyl-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone IUPAC Name: 5-tert-butyl-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one Traditional Name: 5-tert-butyl-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC=C1)N=CN(C2=O)CC(=O)CC3C(CCCN3)O

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O

InChI

InChI=1S/C20H27N3O3/c1-20(2,3)14-6-4-7-15-18(14)19(26)23(12-22-15)11-13(24)10-16-17(25)8-5-9-21-16/h4,6-7,12,16-17,21,25H,5,8-11H2,1-3H3/t16-,17+/m1/s1