(3aS,9bR)-3a-butyl-3-methyl-9b-oxidanyl-1-phenyl-5H-imidazo[4,5-c]quinoline-2,4-dione

Systemtic Name: (3aS,9bR)-3a-butyl-3-methyl-9b-oxidanyl-1-phenyl-5H-imidazo[4,5-c]quinoline-2,4-dione Openeye Name: (3aS,9bR)-3a-butyl-9b-hydroxy-3-methyl-1-phenyl-5H-imidazo[4,5-c]quinoline-2,4-dione CAS Name: (3aS,9bR)-3a-butyl-9b-hydroxy-3-methyl-1-phenyl-5H-imidazo[4,5-c]quinoline-2,4-dione IUPAC Name: (3aS,9bR)-3a-butyl-9b-hydroxy-3-methyl-1-phenyl-5H-imidazo[4,5-c]quinoline-2,4-dione Traditional Name: (3aS,9bR)-3a-butyl-9b-hydroxy-3-methyl-1-phenyl-5H-imidazo[4,5-c]quinoline-2,4-quinone Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC12C(=O)NC3=CC=CC=C3C1(N(C(=O)N2C)C4=CC=CC=C4)O

Isomeric SMILES

CCCC[C@@]12C(=O)NC3=CC=CC=C3[C@@]1(N(C(=O)N2C)C4=CC=CC=C4)O

InChI

InChI=1S/C21H23N3O3/c1-3-4-14-20-18(25)22-17-13-9-8-12-16(17)21(20,27)24(19(26)23(20)2)15-10-6-5-7-11-15/h5-13,27H,3-4,14H2,1-2H3,(H,22,25)/t20-,21-/m1/s1