6-[3-(4-bromophenyl)-1-methyl-indazol-6-yl]oxy-N-methyl-N-prop-2-enyl-hexan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 6-[3-(4-bromophenyl)-1-methyl-indazol-6-yl]oxy-N-methyl-N-prop-2-enyl-hexan-1-amine; (E)-but-2-enedioic acid Openeye Name: N-allyl-6-[3-(4-bromophenyl)-1-methyl-indazol-6-yl]oxy-N-methyl-hexan-1-amine; fumaric acid CAS Name: 6-[[3-(4-bromophenyl)-1-methyl-6-indazolyl]oxy]-N-methyl-N-prop-2-enyl-1-hexanamine; (E)-2-butenedioic acid IUPAC Name: 6-[3-(4-bromophenyl)-1-methylindazol-6-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine; (E)-but-2-enedioic acid Traditional Name: allyl-[6-[3-(4-bromophenyl)-1-methyl-indazol-6-yl]oxyhexyl]-methyl-amine; fumaric acid Formula: C28H34BrN3O5 MolecularWeight: 572.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)OCCCCCCN(C)CC=C)C(=N1)C3=CC=C(C=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=C(C=CC(=C2)OCCCCCCN(C)CC=C)C(=N1)C3=CC=C(C=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H30BrN3O.C4H4O4/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19;5-3(6)1-2-4(7)8/h4,9-14,18H,1,5-8,15-17H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+