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

Systemtic Name: 4-bromanyl-N-[4-[butyl(furan-2-ylmethyl)amino]-3-pyrrolidin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-bromo-N-[4-[butyl(2-furylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 4-bromo-N-[4-[butyl(2-furanylmethyl)amino]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 4-bromo-N-[4-[butyl(furan-2-ylmethyl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 4-bromo-N-[4-[butyl(2-furfuryl)amino]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C27H30BrN3O3 MolecularWeight: 524.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30BrN3O3/c1-2-3-14-31(19-23-7-6-17-34-23)25-13-12-22(18-24(25)27(33)30-15-4-5-16-30)29-26(32)20-8-10-21(28)11-9-20/h6-13,17-18H,2-5,14-16,19H2,1H3,(H,29,32)