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

Systemtic Name: N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(3S)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@H](CC2=O)NC(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C22H25N3O4/c1-28-19-8-7-18(12-20(19)29-2)25-14-17(11-21(25)26)23-22(27)24-10-9-15-5-3-4-6-16(15)13-24/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,23,27)/t17-/m0/s1