3-[2-oxidanylidene-2-[(3S,4S)-3-oxidanyl-4-phenyl-piperidin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[(3S,4S)-3-oxidanyl-4-phenyl-piperidin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[(3S,4S)-3-hydroxy-4-phenyl-1-piperidyl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[(3S,4S)-3-hydroxy-4-phenyl-1-piperidinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[(3S,4S)-3-hydroxy-4-phenyl-piperidino]-2-keto-ethyl]quinazolin-4-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=CC=C2)O)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(C[C@H]([C@@H]1C2=CC=CC=C2)O)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O3/c25-19-12-23(11-10-16(19)15-6-2-1-3-7-15)20(26)13-24-14-22-18-9-5-4-8-17(18)21(24)27/h1-9,14,16,19,25H,10-13H2/t16-,19+/m0/s1