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

Systemtic Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O3/c1-2-28-20-9-7-19(8-10-20)25-15-18(13-21(25)26)23-22(27)24-12-11-16-5-3-4-6-17(16)14-24/h3-10,18H,2,11-15H2,1H3,(H,23,27)/t18-/m0/s1