N-[[4-[(2-pyrazol-1-ylpyridin-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[(2-pyrazol-1-ylpyridin-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(2-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[[2-(1-pyrazolyl)-3-pyridinyl]methylamino]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[(2-pyrazol-1-ylpyridin-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(2-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=C(N=CC=C5)N6C=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC5=C(N=CC=C5)N6C=CC=N6

InChI

InChI=1S/C28H31N5O2/c34-26(30-18-24-3-1-8-29-25(24)33-10-2-9-32-33)23-6-4-19(5-7-23)17-31-27(35)28-14-20-11-21(15-28)13-22(12-20)16-28/h1-10,20-22H,11-18H2,(H,30,34)(H,31,35)