(1S,3S,4aS,4bR,10bS,12aS)-3-bromanyl-8-methoxy-N-(2-methoxyphenyl)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-1-amine

Systemtic Name: (1S,3S,4aS,4bR,10bS,12aS)-3-bromanyl-8-methoxy-N-(2-methoxyphenyl)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-1-amine Openeye Name: (1S,3S,4aS,4bR,10bS,12aS)-3-bromo-8-methoxy-N-(2-methoxyphenyl)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-1-amine CAS Name: (1S,3S,4aS,4bR,10bS,12aS)-3-bromo-8-methoxy-N-(2-methoxyphenyl)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-1-amine IUPAC Name: (1S,3S,4aS,4bR,10bS,12aS)-3-bromo-8-methoxy-N-(2-methoxyphenyl)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-1-amine Traditional Name: [(1S,3S,4aS,4bR,10bS,12aS)-3-bromo-8-methoxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-1-yl]-(2-methoxyphenyl)amine Formula: C27H34BrNO2 MolecularWeight: 484.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(CC2NC4=CC=CC=C4OC)Br)CCC5=C3C=CC(=C5)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C[C@@H]2NC4=CC=CC=C4OC)Br)CCC5=C3C=CC(=C5)OC

InChI

InChI=1S/C27H34BrNO2/c1-27-13-12-21-20-11-9-19(30-2)14-17(20)8-10-22(21)23(27)15-18(28)16-26(27)29-24-6-4-5-7-25(24)31-3/h4-7,9,11,14,18,21-23,26,29H,8,10,12-13,15-16H2,1-3H3/t18-,21+,22+,23-,26-,27-/m0/s1