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

Systemtic Name: 5-azanyl-N-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-(2-chlorobenzyl)-1-(3,4-dimethoxyphenyl)triazole-4-carboxamide Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3Cl)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3Cl)N)OC

InChI

InChI=1S/C18H18ClN5O3/c1-26-14-8-7-12(9-15(14)27-2)24-17(20)16(22-23-24)18(25)21-10-11-5-3-4-6-13(11)19/h3-9H,10,20H2,1-2H3,(H,21,25)