N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-pyridin-4-ylpyrazol-1-yl)ethanamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-pyridin-4-ylpyrazol-1-yl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(4-pyridyl)pyrazol-1-yl]acetamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-pyridin-4-yl-1-pyrazolyl)acetamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-2-ethoxy-2-[3-(4-pyridyl)pyrazol-1-yl]acetamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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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=NC=C3.CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2.C2H4O2/c1-2-28-20(26-12-9-17(25-26)15-7-10-23-11-8-15)19(27)24-13-14-3-5-16(6-4-14)18(21)22;1-2(3)4/h3-12,20H,2,13H2,1H3,(H3,21,22)(H,24,27);1H3,(H,3,4)