4-[[4-[(2-tert-butylbenzimidazol-1-yl)methyl]phenyl]carbonylamino]-N-oxidanyl-1-prop-2-ynyl-pyrrolidine-3-carboxamide

Systemtic Name: 4-[[4-[(2-tert-butylbenzimidazol-1-yl)methyl]phenyl]carbonylamino]-N-oxidanyl-1-prop-2-ynyl-pyrrolidine-3-carboxamide Openeye Name: 4-[(2-tert-butylbenzimidazol-1-yl)methyl]-N-[4-(hydroxycarbamoyl)-1-prop-2-ynyl-pyrrolidin-3-yl]benzamide CAS Name: 4-[[[4-[(2-tert-butyl-1-benzimidazolyl)methyl]phenyl]-oxomethyl]amino]-N-hydroxy-1-prop-2-ynyl-3-pyrrolidinecarboxamide IUPAC Name: 4-[[4-[(2-tert-butylbenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxy-1-prop-2-ynylpyrrolidine-3-carboxamide Traditional Name: 4-[(2-tert-butylbenzimidazol-1-yl)methyl]-N-[4-(hydroxycarbamoyl)-1-propargyl-pyrrolidin-3-yl]benzamide Formula: C27H31N5O3 MolecularWeight: 473.56674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)CC#C

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)CC#C

InChI

InChI=1S/C27H31N5O3/c1-5-14-31-16-20(25(34)30-35)22(17-31)28-24(33)19-12-10-18(11-13-19)15-32-23-9-7-6-8-21(23)29-26(32)27(2,3)4/h1,6-13,20,22,35H,14-17H2,2-4H3,(H,28,33)(H,30,34)