N-[[4-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(6-imidazol-1-yl-3-pyridyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[6-(1-imidazolyl)-3-pyridinyl]amino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(6-imidazol-1-yl-3-pyridyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CN=C(C=C5)N6C=CN=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CN=C(C=C5)N6C=CN=C6

InChI

InChI=1S/C27H29N5O2/c33-25(31-23-5-6-24(29-16-23)32-8-7-28-17-32)22-3-1-18(2-4-22)15-30-26(34)27-12-19-9-20(13-27)11-21(10-19)14-27/h1-8,16-17,19-21H,9-15H2,(H,30,34)(H,31,33)