3-azanyl-N-[[5-oxidanylidene-1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide

Systemtic Name: 3-azanyl-N-[[5-oxidanylidene-1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Openeye Name: 3-amino-N-[[5-oxo-1-[4-(2-oxo-1-piperidyl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide CAS Name: 3-amino-N-[[5-oxo-1-[4-(2-oxo-1-piperidinyl)phenyl]-3-pyrrolidinyl]methyl]-6-isoquinolinecarboxamide IUPAC Name: 3-amino-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Traditional Name: 3-amino-N-[[5-keto-1-[4-(2-ketopiperidino)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Formula: C26H27N5O3 MolecularWeight: 457.52428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CC(CC3=O)CNC(=O)C4=CC5=CC(=NC=C5C=C4)N

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CC(CC3=O)CNC(=O)C4=CC5=CC(=NC=C5C=C4)N

InChI

InChI=1S/C26H27N5O3/c27-23-13-20-12-18(4-5-19(20)15-28-23)26(34)29-14-17-11-25(33)31(16-17)22-8-6-21(7-9-22)30-10-2-1-3-24(30)32/h4-9,12-13,15,17H,1-3,10-11,14,16H2,(H2,27,28)(H,29,34)