N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(5-methylpyridin-3-yl)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(5-methylpyridin-3-yl)pyrazol-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(5-methyl-3-pyridyl)pyrazol-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(5-methyl-3-pyridinyl)-1-pyrazolyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[3-(5-methylpyridin-3-yl)pyrazol-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-ethoxy-2-[3-(5-methyl-3-pyridyl)pyrazol-1-yl]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(=CN=C3)C

Isomeric SMILES

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

InChI

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