N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C26H32N4O MolecularWeight: 416.55848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C26H32N4O/c1-19-8-10-22(11-9-19)18-30-21(3)25(20(2)28-30)26(31)27-23-12-14-24(15-13-23)29-16-6-4-5-7-17-29/h8-15H,4-7,16-18H2,1-3H3,(H,27,31)