N-[(1R)-1-(1-adamantyl)ethyl]-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C28H31N3O MolecularWeight: 425.56524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H31N3O/c1-19(28-15-20-12-21(16-28)14-22(13-20)17-28)29-27(32)25-18-31(24-10-6-3-7-11-24)30-26(25)23-8-4-2-5-9-23/h2-11,18-22H,12-17H2,1H3,(H,29,32)/t19-,20?,21?,22?,28?/m1/s1