5-azanyl-9-(6-bromanyl-3,4-dihydro-2H-quinolin-1-yl)-N-butyl-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide

Systemtic Name: 5-azanyl-9-(6-bromanyl-3,4-dihydro-2H-quinolin-1-yl)-N-butyl-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide Openeye Name: 5-amino-9-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-nonanamide CAS Name: 5-amino-9-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxononanamide IUPAC Name: 5-amino-9-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxononanamide Traditional Name: 5-amino-9-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-butyl-4-hydroxy-9-keto-2,7,7-trimethyl-pelargonamide Formula: C25H40BrN3O3 MolecularWeight: 510.5074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CCCC2=C1C=CC(=C2)Br)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CCCC2=C1C=CC(=C2)Br)N)O

InChI

InChI=1S/C25H40BrN3O3/c1-5-6-11-28-24(32)17(2)13-22(30)20(27)15-25(3,4)16-23(31)29-12-7-8-18-14-19(26)9-10-21(18)29/h9-10,14,17,20,22,30H,5-8,11-13,15-16,27H2,1-4H3,(H,28,32)