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

Systemtic Name: 3-[[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 3-[[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 3-[[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 3-[[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 3-[[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3COC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3COC4=CC=CC=C4N3

InChI

InChI=1S/C21H25BrN2O2/c1-25-18-6-7-19(22)16(11-18)10-15-8-9-24(12-15)13-17-14-26-21-5-3-2-4-20(21)23-17/h2-7,11,15,17,23H,8-10,12-14H2,1H3