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

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(adamantane-1-carbonylamino)phenyl]-N-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C30H29N5O2 MolecularWeight: 491.58356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=NC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=NC=C7

InChI

InChI=1S/C30H29N5O2/c36-28(32-24-7-9-31-10-8-24)22-3-6-25-26(14-22)35-27(34-25)21-1-4-23(5-2-21)33-29(37)30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,35)(H,31,32,36)