quinolin-3-ylmethyl N-[1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-fluoranyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: quinolin-3-ylmethyl N-[1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-fluoranyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 3-quinolylmethyl N-[2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-[(5-fluoro-1H-indol-3-yl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-3-(5-fluoro-1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid 3-quinolinylmethyl ester IUPAC Name: quinolin-3-ylmethyl N-[1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-fluoro-1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[(3-bromo-2-isoxazolin-5-yl)methylamino]-1-[(5-fluoro-1H-indol-3-yl)methyl]-2-keto-ethyl]carbamic acid 3-quinolylmethyl ester Formula: C26H23BrFN5O4 MolecularWeight: 568.394323

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CNC(=O)C(CC2=CNC3=C2C=C(C=C3)F)NC(=O)OCC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C(ON=C1Br)CNC(=O)C(CC2=CNC3=C2C=C(C=C3)F)NC(=O)OCC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)