N-[3-(benzotriazol-1-yl)propyl]-3-[5-oxidanylidene-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

Systemtic Name: N-[3-(benzotriazol-1-yl)propyl]-3-[5-oxidanylidene-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide Openeye Name: N-[3-(benzotriazol-1-yl)propyl]-3-[5-oxo-2-(2-thienylmethyl)pyrrolidin-2-yl]propanamide CAS Name: N-[3-(1-benzotriazolyl)propyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)-2-pyrrolidinyl]propanamide IUPAC Name: N-[3-(benzotriazol-1-yl)propyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide Traditional Name: N-[3-(benzotriazol-1-yl)propyl]-3-[5-keto-2-(2-thenyl)pyrrolidin-2-yl]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CCC(=O)NCCCN2C3=CC=CC=C3N=N2)CC4=CC=CS4

Isomeric SMILES

C1CC(NC1=O)(CCC(=O)NCCCN2C3=CC=CC=C3N=N2)CC4=CC=CS4

InChI

InChI=1S/C21H25N5O2S/c27-19(22-12-4-13-26-18-7-2-1-6-17(18)24-25-26)8-10-21(11-9-20(28)23-21)15-16-5-3-14-29-16/h1-3,5-7,14H,4,8-13,15H2,(H,22,27)(H,23,28)