N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[butyl(2-furylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[4-[butyl(2-furfuryl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C27H30FN3O3 MolecularWeight: 463.543803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N4CCCC4

Isomeric SMILES

CCCCN(CC1=CC=CO1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N4CCCC4

InChI

InChI=1S/C27H30FN3O3/c1-2-3-13-31(19-23-10-7-16-34-23)25-12-11-22(18-24(25)27(33)30-14-4-5-15-30)29-26(32)20-8-6-9-21(28)17-20/h6-12,16-18H,2-5,13-15,19H2,1H3,(H,29,32)