1-[(2,4-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)CN4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)CN4CCCCC4)C

InChI

InChI=1S/C25H30N4O2/c1-19-6-11-24(20(2)16-19)31-18-29-15-12-23(27-29)25(30)26-22-9-7-21(8-10-22)17-28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14,17-18H2,1-2H3,(H,26,30)