N-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-[(2-fluorophenyl)carbonylamino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Openeye Name: N-[2-[4-[(2-fluorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide CAS Name: N-[2-[4-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]-3H-benzimidazol-5-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-[(2-fluorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Traditional Name: N-[2-[4-[(2-fluorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Formula: C31H29FN4O2 MolecularWeight: 508.585963

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CC=CC=C7F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)NC(=O)C7=CC=CC=C7F

InChI

InChI=1S/C31H29FN4O2/c32-25-4-2-1-3-24(25)29(37)33-22-7-5-21(6-8-22)28-35-26-10-9-23(14-27(26)36-28)34-30(38)31-15-18-11-19(16-31)13-20(12-18)17-31/h1-10,14,18-20H,11-13,15-17H2,(H,33,37)(H,34,38)(H,35,36)