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

Systemtic Name: 3-[[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 3-[[4-[(2-bromo-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 3-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 3-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 3-[[4-(2-bromo-5-isopropoxy-benzyl)piperidino]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C24H31BrN2O2 MolecularWeight: 459.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3COC4=CC=CC=C4N3

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3COC4=CC=CC=C4N3

InChI

InChI=1S/C24H31BrN2O2/c1-17(2)29-21-7-8-22(25)19(14-21)13-18-9-11-27(12-10-18)15-20-16-28-24-6-4-3-5-23(24)26-20/h3-8,14,17-18,20,26H,9-13,15-16H2,1-2H3