4-bromanylbicyclo[3.1.1]hepta-1(6),2,4-triene; ethyl 6-[ethyl(phenylmethoxy)amino]pyridazine-3-carboxylate

Systemtic Name: 4-bromanylbicyclo[3.1.1]hepta-1(6),2,4-triene; ethyl 6-[ethyl(phenylmethoxy)amino]pyridazine-3-carboxylate Openeye Name: 4-bromobicyclo[3.1.1]hepta-1(6),2,4-triene; ethyl 6-[benzyloxy(ethyl)amino]pyridazine-3-carboxylate CAS Name: 4-bromobicyclo[3.1.1]hepta-1(6),2,4-triene; 6-[ethyl(phenylmethoxy)amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: 4-bromobicyclo[3.1.1]hepta-1(6),2,4-triene; ethyl 6-[ethyl(phenylmethoxy)amino]pyridazine-3-carboxylate Traditional Name: 6-[benzoxy(ethyl)amino]pyridazine-3-carboxylic acid ethyl ester; 4-bromobicyclo[3.1.1]hepta-1(6),2,4-triene Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NN=C(C=C1)C(=O)OCC)OCC2=CC=CC=C2.C1C2=CC1=C(C=C2)Br

Isomeric SMILES

CCN(C1=NN=C(C=C1)C(=O)OCC)OCC2=CC=CC=C2.C1C2=CC1=C(C=C2)Br

InChI

InChI=1S/C16H19N3O3.C7H5Br/c1-3-19(22-12-13-8-6-5-7-9-13)15-11-10-14(17-18-15)16(20)21-4-2;8-7-2-1-5-3-6(7)4-5/h5-11H,3-4,12H2,1-2H3;1-3H,4H2