[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

Systemtic Name: [4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Openeye Name: [4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-(2,3-dimethylquinoxalin-6-yl)methanone CAS Name: [4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-(2,3-dimethyl-6-quinoxalinyl)methanone IUPAC Name: [4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Traditional Name: [4-(4-bromophenyl)-4-hydroxy-piperidino]-(2,3-dimethylquinoxalin-6-yl)methanone Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=C(C=C4)Br)O)N=C1C

InChI

InChI=1S/C22H22BrN3O2/c1-14-15(2)25-20-13-16(3-8-19(20)24-14)21(27)26-11-9-22(28,10-12-26)17-4-6-18(23)7-5-17/h3-8,13,28H,9-12H2,1-2H3