N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-methyl-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-methyl-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-2-benzyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-5-methyl-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-2-benzyl-5-methylpyrazole-3-carboxamide Traditional Name: N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-2-benzyl-5-methyl-pyrazole-3-carboxamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N6O3/c1-14-9-18(28(27-14)12-15-5-3-2-4-6-15)22(30)26-11-17-8-7-16(21(24)25)10-19(17)31-13-20(23)29/h2-10H,11-13H2,1H3,(H2,23,29)(H3,24,25)(H,26,30)