(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(isoquinolin-1-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(isoquinolin-1-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-isoquinolylmethyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-isoquinolinylmethyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(isoquinolin-1-ylmethyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-isoquinolylmethyl)-5-keto-pyrrolidine-3-carboxamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NCC4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)NCC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O4/c27-22-11-16(14-26(22)17-5-6-20-21(12-17)30-10-9-29-20)23(28)25-13-19-18-4-2-1-3-15(18)7-8-24-19/h1-8,12,16H,9-11,13-14H2,(H,25,28)/t16-/m0/s1