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

Systemtic Name: 5-azanyl-1-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3-bromo-4-methoxy-phenyl)methyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromo-4-methoxy-benzyl)-N-phenethyl-triazole-4-carboxamide Formula: C19H20BrN5O2 MolecularWeight: 430.2984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N)Br

InChI

InChI=1S/C19H20BrN5O2/c1-27-16-8-7-14(11-15(16)20)12-25-18(21)17(23-24-25)19(26)22-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12,21H2,1H3,(H,22,26)