N-(1-adamantylmethyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-(1-adamantylmethyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-adamantylmethyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

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