N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-chloro-adamantane-1-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-chloro-adamantane-1-carboxamide Formula: C26H28ClN3O MolecularWeight: 433.97302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)N[C@@H](CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H28ClN3O/c27-26-14-18-10-19(15-26)13-25(12-18,16-26)24(31)30-22(11-17-6-2-1-3-7-17)23-28-20-8-4-5-9-21(20)29-23/h1-9,18-19,22H,10-16H2,(H,28,29)(H,30,31)/t18?,19?,22-,25?,26?/m0/s1