5-azanyl-N-butyl-9-(2-cyano-2,3-dihydro-1,4-benzoxazin-4-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide

Systemtic Name: 5-azanyl-N-butyl-9-(2-cyano-2,3-dihydro-1,4-benzoxazin-4-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide Openeye Name: 5-amino-N-butyl-9-(2-cyano-2,3-dihydro-1,4-benzoxazin-4-yl)-4-hydroxy-2,7,7-trimethyl-9-oxo-nonanamide CAS Name: 5-amino-N-butyl-9-(2-cyano-2,3-dihydro-1,4-benzoxazin-4-yl)-4-hydroxy-2,7,7-trimethyl-9-oxononanamide IUPAC Name: 5-amino-N-butyl-9-(2-cyano-2,3-dihydro-1,4-benzoxazin-4-yl)-4-hydroxy-2,7,7-trimethyl-9-oxononanamide Traditional Name: 5-amino-N-butyl-9-(2-cyano-2,3-dihydro-1,4-benzoxazin-4-yl)-4-hydroxy-9-keto-2,7,7-trimethyl-pelargonamide Formula: C25H38N4O4 MolecularWeight: 458.59362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(OC2=CC=CC=C21)C#N)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(OC2=CC=CC=C21)C#N)N)O

InChI

InChI=1S/C25H38N4O4/c1-5-6-11-28-24(32)17(2)12-21(30)19(27)13-25(3,4)14-23(31)29-16-18(15-26)33-22-10-8-7-9-20(22)29/h7-10,17-19,21,30H,5-6,11-14,16,27H2,1-4H3,(H,28,32)