N-[(1R)-1-(1-adamantyl)ethyl]-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC(C)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H28ClN3O/c1-14-20(21(24)27(26-14)19-6-4-3-5-7-19)22(28)25-15(2)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,15-18H,8-13H2,1-2H3,(H,25,28)/t15-,16?,17?,18?,23?/m1/s1