N-(1-adamantyl)-2-pyrimidin-4-yl-benzamide

Systemtic Name: N-(1-adamantyl)-2-pyrimidin-4-yl-benzamide Openeye Name: N-(1-adamantyl)-2-pyrimidin-4-yl-benzamide CAS Name: N-(1-adamantyl)-2-(4-pyrimidinyl)benzamide IUPAC Name: N-(1-adamantyl)-2-pyrimidin-4-ylbenzamide Traditional Name: N-(1-adamantyl)-2-(4-pyrimidyl)benzamide Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C5=NC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C5=NC=NC=C5

InChI

InChI=1S/C21H23N3O/c25-20(18-4-2-1-3-17(18)19-5-6-22-13-23-19)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,13-16H,7-12H2,(H,24,25)