N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2/c1-15-4-2-3-5-20(15)27-14-25-7-6-19(24-25)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-7,16-18H,8-14H2,1H3,(H,23,26)