1-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]cinnolin-4-one Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN2C3=CC=CC=C3C(=O)C=N2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H23N3O4/c27-20-14-24-26(19-6-2-1-5-17(19)20)15-23(28)25-10-3-7-18(25)16-8-9-21-22(13-16)30-12-4-11-29-21/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12,15H2/t18-/m0/s1