N-[(1S)-1-(1-adamantyl)ethyl]-4-bromanyl-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-bromanyl-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-bromo-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-bromo-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-bromo-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-bromo-1,5-dimethyl-pyrazole-3-carboxamide Formula: C18H26BrN3O MolecularWeight: 380.32254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)N[C@@H](C)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C18H26BrN3O/c1-10-15(19)16(21-22(10)3)17(23)20-11(2)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-14H,4-9H2,1-3H3,(H,20,23)/t11-,12?,13?,14?,18?/m0/s1