N-[1-(4-butan-2-ylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Openeye Name: 1-(pyrazol-1-ylmethyl)-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-(1-pyrazolylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide Traditional Name: 1-(pyrazol-1-ylmethyl)-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)CN3C=CC=N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)CN3C=CC=N3

InChI

InChI=1S/C21H27N5O/c1-4-16(3)17-7-9-18(10-8-17)19(5-2)23-21(27)20-11-14-26(24-20)15-25-13-6-12-22-25/h6-14,16,19H,4-5,15H2,1-3H3,(H,23,27)