N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4)C5=CC=CS5

InChI

InChI=1S/C27H26N4O2S/c1-19-4-10-22(11-5-19)31-25(32)15-23(26(31)24-3-2-14-34-24)27(33)29-16-20-6-8-21(9-7-20)17-30-13-12-28-18-30/h2-14,18,23,26H,15-17H2,1H3,(H,29,33)