N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazole-4-carboxamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazole-4-carboxamide Openeye Name: 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-3-methyl-6-(1-oxopropylamino)-2-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide Traditional Name: 2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-propionamido-benzimidazole-4-carboxamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC3=CN(N=C3)CC)N(C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC3=CN(N=C3)CC)N(C(=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N6O2/c1-4-23(32)28-19-12-20(25(33)26-14-18-15-27-31(5-2)16-18)24-21(13-19)29-22(30(24)3)11-17-9-7-6-8-10-17/h6-10,12-13,15-16H,4-5,11,14H2,1-3H3,(H,26,33)(H,28,32)