6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-1-ethyl-3-methyl-quinoxalin-2-one

Systemtic Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-1-ethyl-3-methyl-quinoxalin-2-one Openeye Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-1-ethyl-3-methyl-quinoxalin-2-one CAS Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-1-ethyl-3-methyl-2-quinoxalinone IUPAC Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one Traditional Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-1-ethyl-3-methyl-quinoxalin-2-one Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5)N=C(C1=O)C

InChI

InChI=1S/C25H27N3O4/c1-3-27-21-9-7-18(14-19(21)26-16(2)24(27)29)25(30)28-11-4-6-20(28)17-8-10-22-23(15-17)32-13-5-12-31-22/h7-10,14-15,20H,3-6,11-13H2,1-2H3/t20-/m0/s1