N-(1-adamantylmethyl)-1-(4,5-dimethylpyrimidin-2-yl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(4,5-dimethylpyrimidin-2-yl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(4,5-dimethylpyrimidin-2-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(4,5-dimethyl-2-pyrimidinyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(4,5-dimethylpyrimidin-2-yl)-5-methylpyrazole-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(4,5-dimethylpyrimidin-2-yl)-5-methyl-pyrazole-4-carboxamide Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C)N2C(=C(C=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CN=C(N=C1C)N2C(=C(C=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H29N5O/c1-13-10-23-21(26-14(13)2)27-15(3)19(11-25-27)20(28)24-12-22-7-16-4-17(8-22)6-18(5-16)9-22/h10-11,16-18H,4-9,12H2,1-3H3,(H,24,28)