2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide CAS Name: 2-(2,4-difluorophenyl)-1-oxo-N-[2-(1-pyrrolidinyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2,4-difluorophenyl)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-(2-pyrrolidinoethyl)isoquinoline-4-carboxamide Formula: C22H21F2N3O2 MolecularWeight: 397.417846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O2/c23-15-7-8-20(19(24)13-15)27-14-18(16-5-1-2-6-17(16)22(27)29)21(28)25-9-12-26-10-3-4-11-26/h1-2,5-8,13-14H,3-4,9-12H2,(H,25,28)