4-(2-azanylethyl)-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 4-(2-azanylethyl)-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 4-(2-aminoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 4-(2-aminoethyl)-3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 4-(2-aminoethyl)-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 4-(2-aminoethyl)-3-keto-2-phenyl-5-(piperazinomethyl)cinchoninic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C3C(=CC=C2)N=C(C(=O)C3(CCN)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CC2=C3C(=CC=C2)N=C(C(=O)C3(CCN)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c24-10-9-23(22(29)30)19-17(15-27-13-11-25-12-14-27)7-4-8-18(19)26-20(21(23)28)16-5-2-1-3-6-16/h1-8,25H,9-15,24H2,(H,29,30)