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

Systemtic Name: 3-[[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 3-[[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 3-[[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 3-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 3-[[4-(2-bromo-5-methoxy-benzyl)piperidino]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3COC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3COC4=CC=CC=C4N3

InChI

InChI=1S/C22H27BrN2O2/c1-26-19-6-7-20(23)17(13-19)12-16-8-10-25(11-9-16)14-18-15-27-22-5-3-2-4-21(22)24-18/h2-7,13,16,18,24H,8-12,14-15H2,1H3