butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-ynyl-amino]pyridazine-3-carboxylate

Systemtic Name: butyl 6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-ynyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[(2-benzyloxy-5-bromo-phenyl)methyl-prop-2-ynyl-amino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-ynylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-ynylamino]pyridazine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-bromo-benzyl)-propargyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C26H26BrN3O3 MolecularWeight: 508.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN=C(C=C1)N(CC#C)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=NN=C(C=C1)N(CC#C)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3/c1-3-5-16-32-26(31)23-12-14-25(29-28-23)30(15-4-2)18-21-17-22(27)11-13-24(21)33-19-20-9-7-6-8-10-20/h2,6-14,17H,3,5,15-16,18-19H2,1H3