N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N[C@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H23N3O4/c26-21-11-17(14-25(21)18-5-6-19-20(12-18)29-10-9-28-19)23-22(27)24-8-7-15-3-1-2-4-16(15)13-24/h1-6,12,17H,7-11,13-14H2,(H,23,27)/t17-/m0/s1