(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O4/c28-22-10-17(15-26(22)19-6-7-20-21(11-19)31-9-8-30-20)23(29)24-12-16-13-25-27(14-16)18-4-2-1-3-5-18/h1-7,11,13-14,17H,8-10,12,15H2,(H,24,29)/t17-/m0/s1