methyl (2E)-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylate

Systemtic Name: methyl (2E)-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylate Openeye Name: methyl (2E)-2-[4-(isopropylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylate CAS Name: (2E)-2-[4-[oxo-(propan-2-ylamino)methyl]-1,2-dihydropyrazol-3-ylidene]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[4-(propan-2-ylcarbamoyl)-1,2-dihydropyrazol-3-ylidene]benzimidazole-5-carboxylate Traditional Name: (2E)-2-[4-(isopropylcarbamoyl)-3-pyrazolin-3-ylidene]benzimidazole-5-carboxylic acid methyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3/c1-8(2)18-15(22)10-7-17-21-13(10)14-19-11-5-4-9(16(23)24-3)6-12(11)20-14/h4-8,17,21H,1-3H3,(H,18,22)/b14-13+