1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

InChI

InChI=1S/C23H22N4O4/c28-22-12-17(15-27(22)19-5-6-20-21(13-19)31-10-9-30-20)23(29)25-18-4-1-3-16(11-18)14-26-8-2-7-24-26/h1-8,11,13,17H,9-10,12,14-15H2,(H,25,29)