ethyl 3-[[4-[2-(N-butanoyl-N-oxidanyl-carbamimidoyl)phenyl]phenyl]-methyl-amino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-[2-(N-butanoyl-N-oxidanyl-carbamimidoyl)phenyl]phenyl]-methyl-amino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[4-[2-(N-butanoyl-N-hydroxy-carbamimidoyl)phenyl]-N-methyl-anilino]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[4-[2-[[hydroxy(1-oxobutyl)amino]-iminomethyl]phenyl]-N-methylanilino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(N-butanoyl-N-hydroxycarbamimidoyl)phenyl]-N-methylanilino]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[4-[2-(N-butyryl-N-hydroxy-amidino)phenyl]-N-methyl-anilino]-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(C(=N)C1=CC=CC=C1C2=CC=C(C=C2)N(C)C3=NN(C=C3C(=O)OCC)C)O

Isomeric SMILES

CCCC(=O)N(C(=N)C1=CC=CC=C1C2=CC=C(C=C2)N(C)C3=NN(C=C3C(=O)OCC)C)O

InChI

InChI=1S/C25H29N5O4/c1-5-9-22(31)30(33)23(26)20-11-8-7-10-19(20)17-12-14-18(15-13-17)29(4)24-21(16-28(3)27-24)25(32)34-6-2/h7-8,10-16,26,33H,5-6,9H2,1-4H3