4-chloranyl-5-(dimethylamino)-1-methyl-N-[5-(pyridin-4-ylmethylcarbamoyl)-2-adamantyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-5-(dimethylamino)-1-methyl-N-[5-(pyridin-4-ylmethylcarbamoyl)-2-adamantyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-5-(dimethylamino)-1-methyl-N-[5-(4-pyridylmethylcarbamoyl)-2-adamantyl]pyrazole-3-carboxamide CAS Name: 4-chloro-5-(dimethylamino)-1-methyl-N-[5-[oxo-(pyridin-4-ylmethylamino)methyl]-2-adamantyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-5-(dimethylamino)-1-methyl-N-[5-(pyridin-4-ylmethylcarbamoyl)-2-adamantyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-5-(dimethylamino)-1-methyl-N-[5-(4-pyridylmethylcarbamoyl)-2-adamantyl]pyrazole-3-carboxamide Formula: C24H31ClN6O2 MolecularWeight: 470.99494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)NCC5=CC=NC=C5)Cl)N(C)C

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)NCC5=CC=NC=C5)Cl)N(C)C

InChI

InChI=1S/C24H31ClN6O2/c1-30(2)22-18(25)20(29-31(22)3)21(32)28-19-16-8-15-9-17(19)12-24(10-15,11-16)23(33)27-13-14-4-6-26-7-5-14/h4-7,15-17,19H,8-13H2,1-3H3,(H,27,33)(H,28,32)