3-[[2-[(3-carbamimidoylphenyl)methyl]-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[2-[(3-carbamimidoylphenyl)methyl]-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[2-[(3-carbamimidoylphenyl)methyl]-5-isopropyl-3-oxo-1H-pyrazol-4-yl]methyl]benzamidine CAS Name: 3-[[2-[(3-carbamimidoylphenyl)methyl]-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]methyl]benzenecarboximidamide IUPAC Name: 3-[[2-[(3-carbamimidoylphenyl)methyl]-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[1-(3-amidinobenzyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]methyl]benzamidine Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)CC2=CC=CC(=C2)C(=N)N)CC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)CC2=CC=CC(=C2)C(=N)N)CC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H26N6O/c1-13(2)19-18(11-14-5-3-7-16(9-14)20(23)24)22(29)28(27-19)12-15-6-4-8-17(10-15)21(25)26/h3-10,13,27H,11-12H2,1-2H3,(H3,23,24)(H3,25,26)