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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=C(C3=CC=CC=C3NC2=O)N)C(=O)OC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCN1)C(C2=C(C3=CC=CC=C3NC2=O)N)C(=O)OC4=CC5=C(C=C4)N=CN5

InChI

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