3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 3-(3-methoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxamide Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCCCN4CCCCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)NCCCN4CCCCCC4=O

InChI

InChI=1S/C27H32N4O3/c1-20-11-13-22(14-12-20)31-19-24(26(29-31)21-8-6-9-23(18-21)34-2)27(33)28-15-7-17-30-16-5-3-4-10-25(30)32/h6,8-9,11-14,18-19H,3-5,7,10,15-17H2,1-2H3,(H,28,33)