2-[4-[(2Z)-2-(4-azanyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(2Z)-2-(4-azanyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(2Z)-2-(4-amino-2-oxo-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2Z)-2-(4-amino-2-oxo-3-quinolinylidene)-1,3-dihydrobenzimidazol-5-yl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(2Z)-2-(4-amino-2-oxoquinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(2Z)-2-(4-amino-2-keto-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]piperazino]acetic acid Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=CC3=C(C=C2)NC(=C4C(=C5C=CC=CC5=NC4=O)N)N3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C=CC=CC5=NC4=O)N)/N3

InChI

InChI=1S/C22H22N6O3/c23-20-14-3-1-2-4-15(14)26-22(31)19(20)21-24-16-6-5-13(11-17(16)25-21)28-9-7-27(8-10-28)12-18(29)30/h1-6,11,24-25H,7-10,12,23H2,(H,29,30)/b21-19-