3-(3,4-dimethoxyphenyl)-1-phenyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[(6-pyrrolidino-3-pyridyl)methyl]pyrazole-4-carboxamide Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CN=C(C=C3)N4CCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CN=C(C=C3)N4CCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N5O3/c1-35-24-12-11-21(16-25(24)36-2)27-23(19-33(31-27)22-8-4-3-5-9-22)28(34)30-18-20-10-13-26(29-17-20)32-14-6-7-15-32/h3-5,8-13,16-17,19H,6-7,14-15,18H2,1-2H3,(H,30,34)