2-[4-(1-adamantylcarbonylamino)phenyl]-N-(4-methylpyridin-2-yl)-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)phenyl]-N-(4-methylpyridin-2-yl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-methyl-2-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-N-(4-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-methylpyridin-2-yl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-methyl-2-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H31N5O2/c1-18-8-9-32-27(10-18)36-29(37)23-4-7-25-26(14-23)35-28(34-25)22-2-5-24(6-3-22)33-30(38)31-15-19-11-20(16-31)13-21(12-19)17-31/h2-10,14,19-21H,11-13,15-17H2,1H3,(H,33,38)(H,34,35)(H,32,36,37)