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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-keto-ethyl]quinazolin-4-one Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20ClN3O3/c22-16-7-5-15(6-8-16)21(28)9-11-24(12-10-21)19(26)13-25-14-23-18-4-2-1-3-17(18)20(25)27/h1-8,14,28H,9-13H2