N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[(5E)-4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[(5E)-4-methyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[(5E)-4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[(5E)-4-methyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-[(5E)-4-methyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-ethoxy-2-[(3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-methyl-3-pyrazolin-1-yl]acetamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=C(C(=C3C=CC=CC3=O)N2)C

Isomeric SMILES

CCOC(C(=O)NCC1=CC=C(C=C1)C(=N)N)N2C=C(/C(=C\3/C=CC=CC3=O)/N2)C

InChI

InChI=1S/C22H25N5O3/c1-3-30-22(21(29)25-12-15-8-10-16(11-9-15)20(23)24)27-13-14(2)19(26-27)17-6-4-5-7-18(17)28/h4-11,13,22,26H,3,12H2,1-2H3,(H3,23,24)(H,25,29)/b19-17+