[4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridazin-3-yl] hydrogen carbonate

Systemtic Name: [4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridazin-3-yl] hydrogen carbonate Openeye Name: [4-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]pyridazin-3-yl] hydrogen carbonate CAS Name: carbonic acid [4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridazinyl] ester IUPAC Name: [4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridazin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]pyridazin-3-yl] ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(N=NC=C3)OC(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(N=NC=C3)OC(=O)O

InChI

InChI=1S/C21H20BrN3O4/c1-2-25(18-10-11-23-24-20(18)29-21(26)27)13-16-12-17(22)8-9-19(16)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3,(H,26,27)