(2E)-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]-N-(phenylmethyl)benzimidazole-5-carboxamide

Systemtic Name: (2E)-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]-N-(phenylmethyl)benzimidazole-5-carboxamide Openeye Name: (2E)-N-benzyl-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxamide CAS Name: (2E)-2-[4-[(2-methyl-1-oxopropyl)amino]-1,2-dihydropyrazol-3-ylidene]-N-(phenylmethyl)-5-benzimidazolecarboxamide IUPAC Name: (2E)-N-benzyl-2-[4-(2-methylpropanoylamino)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxamide Traditional Name: (2E)-N-benzyl-2-[4-(isobutyrylamino)-3-pyrazolin-3-ylidene]benzimidazole-5-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CNNC1=C2N=C3C=CC(=CC3=N2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC\1=CNN/C1=C/2\N=C3C=CC(=CC3=N2)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-13(2)21(29)27-18-12-24-28-19(18)20-25-16-9-8-15(10-17(16)26-20)22(30)23-11-14-6-4-3-5-7-14/h3-10,12-13,24,28H,11H2,1-2H3,(H,23,30)(H,27,29)/b20-19+