4-oxidanylidene-5-piperazin-1-yl-1-[[4-(6-piperazin-1-ylpyridin-3-yl)phenyl]methyl]quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-5-piperazin-1-yl-1-[[4-(6-piperazin-1-ylpyridin-3-yl)phenyl]methyl]quinoline-3-carboxylic acid Openeye Name: 4-oxo-5-piperazin-1-yl-1-[[4-(6-piperazin-1-yl-3-pyridyl)phenyl]methyl]quinoline-3-carboxylic acid CAS Name: 4-oxo-5-(1-piperazinyl)-1-[[4-[6-(1-piperazinyl)-3-pyridinyl]phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 4-oxo-5-piperazin-1-yl-1-[[4-(6-piperazin-1-ylpyridin-3-yl)phenyl]methyl]quinoline-3-carboxylic acid Traditional Name: 4-keto-5-piperazino-1-[4-(6-piperazino-3-pyridyl)benzyl]quinoline-3-carboxylic acid Formula: C30H32N6O3 MolecularWeight: 524.61348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5N6CCNCC6)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5N6CCNCC6)C(=O)O

InChI

InChI=1S/C30H32N6O3/c37-29-24(30(38)39)20-36(26-3-1-2-25(28(26)29)34-14-10-31-11-15-34)19-21-4-6-22(7-5-21)23-8-9-27(33-18-23)35-16-12-32-13-17-35/h1-9,18,20,31-32H,10-17,19H2,(H,38,39)