4-[2-[[6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[[6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[[6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxo-chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[[[6-methoxy-8-(4-methyl-1-piperazinyl)-4-oxo-1-benzopyran-2-yl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[[6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[[4-keto-6-methoxy-8-(4-methylpiperazino)chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid Formula: C27H31N5O6 MolecularWeight: 521.56494

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)OC)C(=O)C=C(O3)C(=O)NC4=CC=CC=C4N5CCN(CC5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)OC)C(=O)C=C(O3)C(=O)NC4=CC=CC=C4N5CCN(CC5)C(=O)O

InChI

InChI=1S/C27H31N5O6/c1-29-7-9-31(10-8-29)22-16-18(37-2)15-19-23(33)17-24(38-25(19)22)26(34)28-20-5-3-4-6-21(20)30-11-13-32(14-12-30)27(35)36/h3-6,15-17H,7-14H2,1-2H3,(H,28,34)(H,35,36)