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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CC(CC3=O)CNC(=O)C4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CC(CC3=O)CNC(=O)C4=CC5=C(C=C4)C(=NC=C5)N

InChI

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