2-[3-(3-aminophenyl)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide

Systemtic Name: 2-[3-(3-aminophenyl)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide Openeye Name: 2-[3-(3-aminophenyl)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-acetamide CAS Name: 2-[3-(3-aminophenyl)-1-pyrazolyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide IUPAC Name: 2-[3-(3-aminophenyl)pyrazol-1-yl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-aminophenyl)pyrazol-1-yl]-2-ethoxy-acetamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=CC(=N2)C3=CC(=CC=C3)N

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=CC(=N2)C3=CC(=CC=C3)N

InChI

InChI=1S/C21H24N6O2/c1-2-29-21(20(28)25-13-14-6-8-15(9-7-14)19(23)24)27-11-10-18(26-27)16-4-3-5-17(22)12-16/h3-12,21H,2,13,22H2,1H3,(H3,23,24)(H,25,28)