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

Systemtic Name: 3-[2-[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 3-[2-[4-[(2-bromo-5-isopropoxy-phenyl)methyl]-1-piperidyl]ethyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 3-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 3-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 3-[2-[4-(2-bromo-5-isopropoxy-benzyl)piperidino]ethyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C25H33BrN2O2 MolecularWeight: 473.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3COC4=CC=CC=C4N3

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3COC4=CC=CC=C4N3

InChI

InChI=1S/C25H33BrN2O2/c1-18(2)30-22-7-8-23(26)20(16-22)15-19-9-12-28(13-10-19)14-11-21-17-29-25-6-4-3-5-24(25)27-21/h3-8,16,18-19,21,27H,9-15,17H2,1-2H3