N-[(2R)-3-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]-2-oxidanyl-propyl]-1-oxidanylidene-2H-isoquinoline-4-carboxamide

Systemtic Name: N-[(2R)-3-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]-2-oxidanyl-propyl]-1-oxidanylidene-2H-isoquinoline-4-carboxamide Openeye Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)-1-piperidyl]-2-hydroxy-propyl]-1-oxo-2H-isoquinoline-4-carboxamide CAS Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)-1-piperidinyl]-2-hydroxypropyl]-1-oxo-2H-isoquinoline-4-carboxamide IUPAC Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1-oxo-2H-isoquinoline-4-carboxamide Traditional Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidino]-2-hydroxy-propyl]-1-keto-2H-isoquinoline-4-carboxamide Formula: C24H25Cl2N3O4 MolecularWeight: 490.379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC(=C(C=C2)Cl)Cl)CC(CNC(=O)C3=CNC(=O)C4=CC=CC=C43)O

Isomeric SMILES

C1CN(CCC1OC2=CC(=C(C=C2)Cl)Cl)C[C@@H](CNC(=O)C3=CNC(=O)C4=CC=CC=C43)O

InChI

InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1