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

Systemtic Name: N-[[5-oxidanylidene-1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Openeye Name: N-[[5-oxo-1-[4-(2-oxo-1-piperidyl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide CAS Name: N-[[5-oxo-1-[4-(2-oxo-1-piperidinyl)phenyl]-3-pyrrolidinyl]methyl]-6-isoquinolinecarboxamide IUPAC Name: N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Traditional Name: N-[[5-keto-1-[4-(2-ketopiperidino)phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c31-24-3-1-2-12-29(24)22-6-8-23(9-7-22)30-17-18(13-25(30)32)15-28-26(33)20-4-5-21-16-27-11-10-19(21)14-20/h4-11,14,16,18H,1-3,12-13,15,17H2,(H,28,33)