4-ethyl-7-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-1H-quinoxaline-2,3-dione

Systemtic Name: 4-ethyl-7-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-1H-quinoxaline-2,3-dione Openeye Name: 4-ethyl-7-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-quinoxaline-2,3-dione CAS Name: 4-ethyl-7-[[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-1H-quinoxaline-2,3-dione IUPAC Name: 4-ethyl-7-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-quinoxaline-2,3-dione Traditional Name: 4-ethyl-7-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-quinoxaline-2,3-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCCCC[C@H]3C4=CC=C(C=C4)OC)NC(=O)C1=O

InChI

InChI=1S/C24H27N3O4/c1-3-26-21-13-10-17(15-19(21)25-22(28)24(26)30)23(29)27-14-6-4-5-7-20(27)16-8-11-18(31-2)12-9-16/h8-13,15,20H,3-7,14H2,1-2H3,(H,25,28)/t20-/m0/s1