N-[4-[6-[(4-chlorophenyl)carbonylamino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[6-[(4-chlorophenyl)carbonylamino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[6-[[(4-chlorophenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]adamantane-1-carboxamide Formula: C31H29ClN4O2 MolecularWeight: 525.04056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29ClN4O2/c32-23-5-1-22(2-6-23)29(37)33-25-9-10-26-27(14-25)36-28(35-26)21-3-7-24(8-4-21)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)