6-azanyl-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-azanyl-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-amino-2-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-amino-2-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-amino-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-amino-2-[4-[2-(butylamino)-2-keto-ethyl]piperazino]cinchoninic acid Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)O

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=NC3=C(C=C(C=C3)N)C(=C2)C(=O)O

InChI

InChI=1S/C20H27N5O3/c1-2-3-6-22-19(26)13-24-7-9-25(10-8-24)18-12-16(20(27)28)15-11-14(21)4-5-17(15)23-18/h4-5,11-12H,2-3,6-10,13,21H2,1H3,(H,22,26)(H,27,28)