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

Systemtic Name: (2E)-N-(phenylmethyl)-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxamide Openeye Name: (2E)-N-benzyl-2-[4-(isopropylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxamide CAS Name: (2E)-2-[4-[oxo-(propan-2-ylamino)methyl]-1,2-dihydropyrazol-3-ylidene]-N-(phenylmethyl)-5-benzimidazolecarboxamide IUPAC Name: (2E)-N-benzyl-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxamide Traditional Name: (2E)-N-benzyl-2-[4-(isopropylcarbamoyl)-3-pyrazolin-3-ylidene]benzimidazole-5-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CNNC1=C2N=C3C=CC(=CC3=N2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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