butyl 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-ynyl-amino]-1H-pyridazine-6-carboxylate

Systemtic Name: butyl 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-ynyl-amino]-1H-pyridazine-6-carboxylate Openeye Name: butyl 2-[(2-benzyloxy-5-bromo-phenyl)methyl-prop-2-ynyl-amino]-1H-pyridazine-6-carboxylate CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-ynylamino]-1H-pyridazine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-ynylamino]-1H-pyridazine-6-carboxylate Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)-propargyl-amino]-1H-pyridazine-6-carboxylic acid butyl ester Formula: C26H28BrN3O3 MolecularWeight: 510.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CN(N1)N(CC#C)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=CN(N1)N(CC#C)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28BrN3O3/c1-3-5-17-32-26(31)24-12-9-16-30(28-24)29(15-4-2)19-22-18-23(27)13-14-25(22)33-20-21-10-7-6-8-11-21/h2,6-14,16,18,28H,3,5,15,17,19-20H2,1H3