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

Systemtic Name: (2E)-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: (2E)-2-[4-(isopropylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]-N-(3-pyridylmethyl)benzimidazole-5-carboxamide CAS Name: (2E)-2-[4-[oxo-(propan-2-ylamino)methyl]-1,2-dihydropyrazol-3-ylidene]-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: (2E)-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: (2E)-2-[4-(isopropylcarbamoyl)-3-pyrazolin-3-ylidene]-N-(3-pyridylmethyl)benzimidazole-5-carboxamide Formula: C21H21N7O2 MolecularWeight: 403.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O2/c1-12(2)25-21(30)15-11-24-28-18(15)19-26-16-6-5-14(8-17(16)27-19)20(29)23-10-13-4-3-7-22-9-13/h3-9,11-12,24,28H,10H2,1-2H3,(H,23,29)(H,25,30)/b19-18+