5-azanyl-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-(2,5-diethoxyphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-(2,5-diethoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3-bromo-4-methoxy-phenyl)methyl]-N-(2,5-diethoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,5-diethoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,5-diethoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromo-4-methoxy-benzyl)-N-(2,5-diethoxyphenyl)triazole-4-carboxamide Formula: C21H24BrN5O4 MolecularWeight: 490.35036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=C(N(N=N2)CC3=CC(=C(C=C3)OC)Br)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=C(N(N=N2)CC3=CC(=C(C=C3)OC)Br)N

InChI

InChI=1S/C21H24BrN5O4/c1-4-30-14-7-9-18(31-5-2)16(11-14)24-21(28)19-20(23)27(26-25-19)12-13-6-8-17(29-3)15(22)10-13/h6-11H,4-5,12,23H2,1-3H3,(H,24,28)