4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxo-chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[[[8-(4-methyl-1-piperazinyl)-4-oxo-1-benzopyran-2-yl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[[4-keto-8-(4-methylpiperazino)chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC3=C2OC(=CC3=O)C(=O)NC4=CC=C(C=C4)N5CCN(CC5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC3=C2OC(=CC3=O)C(=O)NC4=CC=C(C=C4)N5CCN(CC5)C(=O)O

InChI

InChI=1S/C26H29N5O5/c1-28-9-11-30(12-10-28)21-4-2-3-20-22(32)17-23(36-24(20)21)25(33)27-18-5-7-19(8-6-18)29-13-15-31(16-14-29)26(34)35/h2-8,17H,9-16H2,1H3,(H,27,33)(H,34,35)