2-[4-(1-adamantylcarbonylamino)phenyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)phenyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-N-(5-tert-butyl-2-methyl-3-pyrazolyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(5-tert-butyl-2-methylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3H-benzimidazole-5-carboxamide Formula: C33H38N6O2 MolecularWeight: 550.69382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C33H38N6O2/c1-32(2,3)27-15-28(39(4)38-27)37-30(40)23-7-10-25-26(14-23)36-29(35-25)22-5-8-24(9-6-22)34-31(41)33-16-19-11-20(17-33)13-21(12-19)18-33/h5-10,14-15,19-21H,11-13,16-18H2,1-4H3,(H,34,41)(H,35,36)(H,37,40)