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

Systemtic Name: methyl 1-[(4-cyano-2-morpholin-4-yl-phenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 1-[(4-cyano-2-morpholino-phenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[[4-cyano-2-(4-morpholinyl)phenyl]methyl]-4-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-cyano-2-morpholin-4-ylphenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-cyano-2-morpholino-benzyl)-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=C(C=C(C=C2)C#N)N3CCOCC3)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)N3CCOCC3)C)C(=O)OC)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H26N4O3/c1-18-25(22-7-4-20(15-28)5-8-22)26(27(32)33-3)19(2)31(18)17-23-9-6-21(16-29)14-24(23)30-10-12-34-13-11-30/h4-9,14H,10-13,17H2,1-3H3