3-[[4-[(2-bromanyl-5-chloranyl-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

Systemtic Name: 3-[[4-[(2-bromanyl-5-chloranyl-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 3-[[4-[(2-bromo-5-chloro-phenyl)methyl]-1-piperidyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 3-[[4-[(2-bromo-5-chlorophenyl)methyl]-1-piperidinyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 3-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 3-[[4-(2-bromo-5-chloro-benzyl)piperidino]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C21H24BrClN2O MolecularWeight: 435.78506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=C(C=CC(=C2)Cl)Br)CC3COC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1CC2=C(C=CC(=C2)Cl)Br)CC3COC4=CC=CC=C4N3

InChI

InChI=1S/C21H24BrClN2O/c22-19-6-5-17(23)12-16(19)11-15-7-9-25(10-8-15)13-18-14-26-21-4-2-1-3-20(21)24-18/h1-6,12,15,18,24H,7-11,13-14H2