tert-butyl N-[(2S)-7-bromanyl-1-oxidanylidene-1-(quinolin-3-ylamino)heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-7-bromanyl-1-oxidanylidene-1-(quinolin-3-ylamino)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-6-bromo-1-(3-quinolylcarbamoyl)hexyl]carbamate CAS Name: N-[(2S)-7-bromo-1-oxo-1-(3-quinolinylamino)heptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-7-bromo-1-oxo-1-(quinolin-3-ylamino)heptan-2-yl]carbamate Traditional Name: N-[(1S)-6-bromo-1-(3-quinolylcarbamoyl)hexyl]carbamic acid tert-butyl ester Formula: C21H28BrN3O3 MolecularWeight: 450.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCBr)C(=O)NC1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCBr)C(=O)NC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C21H28BrN3O3/c1-21(2,3)28-20(27)25-18(11-5-4-8-12-22)19(26)24-16-13-15-9-6-7-10-17(15)23-14-16/h6-7,9-10,13-14,18H,4-5,8,11-12H2,1-3H3,(H,24,26)(H,25,27)/t18-/m0/s1