2-(4-azanyl-2-oxidanylidene-1H-quinolin-3-yl)-2-(3H-benzimidazol-5-yl)-2-piperazin-1-yl-ethanoic acid

Systemtic Name: 2-(4-azanyl-2-oxidanylidene-1H-quinolin-3-yl)-2-(3H-benzimidazol-5-yl)-2-piperazin-1-yl-ethanoic acid Openeye Name: 2-(4-amino-2-oxo-1H-quinolin-3-yl)-2-(3H-benzimidazol-5-yl)-2-piperazin-1-yl-acetic acid CAS Name: 2-(4-amino-2-oxo-1H-quinolin-3-yl)-2-(3H-benzimidazol-5-yl)-2-(1-piperazinyl)acetic acid IUPAC Name: 2-(4-amino-2-oxo-1H-quinolin-3-yl)-2-(3H-benzimidazol-5-yl)-2-piperazin-1-ylacetic acid Traditional Name: 2-(4-amino-2-keto-1H-quinolin-3-yl)-2-(3H-benzimidazol-5-yl)-2-piperazino-acetic acid Formula: C22H22N6O3 MolecularWeight: 418.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC3=C(C=C2)N=CN3)(C4=C(C5=CC=CC=C5NC4=O)N)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(C2=CC3=C(C=C2)N=CN3)(C4=C(C5=CC=CC=C5NC4=O)N)C(=O)O

InChI

InChI=1S/C22H22N6O3/c23-19-14-3-1-2-4-15(14)27-20(29)18(19)22(21(30)31,28-9-7-24-8-10-28)13-5-6-16-17(11-13)26-12-25-16/h1-6,11-12,24H,7-10H2,(H,25,26)(H,30,31)(H3,23,27,29)