ethyl 3-[butanoyl-[[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl]amino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[butanoyl-[[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]methyl]amino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[butanoyl-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[[4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]methyl-(1-oxobutyl)amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[butanoyl-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[[4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl]-butyryl-amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=NO)N)C3=NN(C=C3C(=O)OCC)C

Isomeric SMILES

CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2/C(=N\O)/N)C3=NN(C=C3C(=O)OCC)C

InChI

InChI=1S/C25H29N5O4/c1-4-8-22(31)30(24-21(16-29(3)27-24)25(32)34-5-2)15-17-11-13-18(14-12-17)19-9-6-7-10-20(19)23(26)28-33/h6-7,9-14,16,33H,4-5,8,15H2,1-3H3,(H2,26,28)