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

Systemtic Name: 5-azanyl-1-[(3-bromophenyl)methyl]-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3-bromophenyl)methyl]-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[(3-bromophenyl)methyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3-bromophenyl)methyl]-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-(3-bromobenzyl)-N-phenethyl-triazole-4-carboxamide Formula: C18H18BrN5O MolecularWeight: 400.27242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Br)N

InChI

InChI=1S/C18H18BrN5O/c19-15-8-4-7-14(11-15)12-24-17(20)16(22-23-24)18(25)21-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,20H2,(H,21,25)