N-[4-[[3-fluoranyl-5-(2-methyl-3-oxidanylidene-piperazin-1-yl)phenoxy]methyl]phenyl]-N,2-dimethyl-pyrrolidine-1-carboxamide

Systemtic Name: N-[4-[[3-fluoranyl-5-(2-methyl-3-oxidanylidene-piperazin-1-yl)phenoxy]methyl]phenyl]-N,2-dimethyl-pyrrolidine-1-carboxamide Openeye Name: N-[4-[[3-fluoro-5-(2-methyl-3-oxo-piperazin-1-yl)phenoxy]methyl]phenyl]-N,2-dimethyl-pyrrolidine-1-carboxamide CAS Name: N-[4-[[3-fluoro-5-(2-methyl-3-oxo-1-piperazinyl)phenoxy]methyl]phenyl]-N,2-dimethyl-1-pyrrolidinecarboxamide IUPAC Name: N-[4-[[3-fluoro-5-(2-methyl-3-oxopiperazin-1-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide Traditional Name: N-[4-[[3-fluoro-5-(3-keto-2-methyl-piperazino)phenoxy]methyl]phenyl]-N,2-dimethyl-pyrrolidine-1-carboxamide Formula: C25H31FN4O3 MolecularWeight: 454.537043

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C(=O)N(C)C2=CC=C(C=C2)COC3=CC(=CC(=C3)N4CCNC(=O)C4C)F

Isomeric SMILES

CC1CCCN1C(=O)N(C)C2=CC=C(C=C2)COC3=CC(=CC(=C3)N4CCNC(=O)C4C)F

InChI

InChI=1S/C25H31FN4O3/c1-17-5-4-11-29(17)25(32)28(3)21-8-6-19(7-9-21)16-33-23-14-20(26)13-22(15-23)30-12-10-27-24(31)18(30)2/h6-9,13-15,17-18H,4-5,10-12,16H2,1-3H3,(H,27,31)