but-2-enedioic acid; 9-chloro-6-phenyl-2-(2-piperazin-1-ylethyl)-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
Molecular Formula:
C29H31ClN4O9
InChI: InChI=1/C21H23ClN4O.2C4H4O4/c22-17-6-7-19-18(14-17)21(16-4-2-1-3-5-16)24-15-20(27)26(19)13-12-25-10-8-23-9-11-25;2*5-3(6)1-2-4(7)8/h1-7,14,23H,8-13,15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/f/h;2*5,7H
InChIKey: InChIKey=KPWOCEJPELKNEJ-LCYOARCZDR
SMILES: C1CN(CCN1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
Names:
but-2-enedioic acid; 9-chloro-6-phenyl-2-(2-piperazin-1-ylethyl)-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
Registries:
PubChem CID 6433399
PubChem ID 11620437
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