N-[(2S)-heptan-2-yl]-2,5-diphenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2,5-diphenyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-methylhexyl]-2,5-diphenyl-pyrazole-3-carboxamide CAS Name: N-[(2S)-heptan-2-yl]-2,5-diphenyl-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-heptan-2-yl]-2,5-diphenylpyrazole-3-carboxamide Traditional Name: N-[(1S)-1-methylhexyl]-2,5-diphenyl-pyrazole-3-carboxamide Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC[C@H](C)NC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O/c1-3-4-7-12-18(2)24-23(27)22-17-21(19-13-8-5-9-14-19)25-26(22)20-15-10-6-11-16-20/h5-6,8-11,13-18H,3-4,7,12H2,1-2H3,(H,24,27)/t18-/m0/s1