N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)ethanamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NN(C(=N1)C)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

Isomeric SMILES

CCOC(C1=NN(C(=N1)C)C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

InChI

InChI=1S/C21H24N6O2.C2H4O2/c1-3-29-18(20-25-14(2)27(26-20)17-7-5-4-6-8-17)21(28)24-13-15-9-11-16(12-10-15)19(22)23;1-2(3)4/h4-12,18H,3,13H2,1-2H3,(H3,22,23)(H,24,28);1H3,(H,3,4)