(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C24H27N3O2 MolecularWeight: 389.49008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCCC[C@@H]3C4=CC=C(C=C4)OC)N=C1C

InChI

InChI=1S/C24H27N3O2/c1-16-17(2)26-22-15-19(10-13-21(22)25-16)24(28)27-14-6-4-5-7-23(27)18-8-11-20(29-3)12-9-18/h8-13,15,23H,4-7,14H2,1-3H3/t23-/m1/s1