2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromanyl-aniline

Systemtic Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromanyl-aniline Openeye Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromo-aniline CAS Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromoaniline IUPAC Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromoaniline Traditional Name: [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-bromo-phenyl]amine Formula: C16H23BrN2 MolecularWeight: 323.27122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)CC3=C(C=CC=C3Br)N

Isomeric SMILES

C1CCC2CN(CCC2C1)CC3=C(C=CC=C3Br)N

InChI

InChI=1S/C16H23BrN2/c17-15-6-3-7-16(18)14(15)11-19-9-8-12-4-1-2-5-13(12)10-19/h3,6-7,12-13H,1-2,4-5,8-11,18H2