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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide Traditional Name: N-(4-amidinobenzyl)-2-ethoxy-2-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)acetamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/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/h4-12,18H,3,13H2,1-2H3,(H3,22,23)(H,24,28)