methyl 4-(4-cyanophenyl)-1-[(4-cyano-2-pyrrolidin-1-yl-phenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)-1-[(4-cyano-2-pyrrolidin-1-yl-phenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-1-[(4-cyano-2-pyrrolidin-1-yl-phenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-1-[[4-cyano-2-(1-pyrrolidinyl)phenyl]methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-1-[(4-cyano-2-pyrrolidin-1-ylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-1-(4-cyano-2-pyrrolidino-benzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C27H26N4O2 MolecularWeight: 438.52094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=C(C=C(C=C2)C#N)N3CCCC3)C)C(=O)OC)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=C(C=C(C=C2)C#N)N3CCCC3)C)C(=O)OC)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H26N4O2/c1-18-25(22-9-6-20(15-28)7-10-22)26(27(32)33-3)19(2)31(18)17-23-11-8-21(16-29)14-24(23)30-12-4-5-13-30/h6-11,14H,4-5,12-13,17H2,1-3H3