5-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-dimethylaminophenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-dimethylaminophenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(4-dimethylaminophenyl)pyrazolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-dimethylaminophenyl)-1-pyrazolidinyl]-5-oxopentanoic acid IUPAC Name: 5-[(3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-dimethylaminophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[(3Z)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-(4-dimethylaminophenyl)pyrazolidin-1-yl]-5-keto-valeric acid Formula: C31H29ClN4O4 MolecularWeight: 557.03936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2C(=O)CCCC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C/C(=C/3\C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)/NN2C(=O)CCCC(=O)O

InChI

InChI=1S/C31H29ClN4O4/c1-35(2)22-14-11-19(12-15-22)26-18-25(34-36(26)27(37)9-6-10-28(38)39)30-29(20-7-4-3-5-8-20)23-17-21(32)13-16-24(23)33-31(30)40/h3-5,7-8,11-17,26,34H,6,9-10,18H2,1-2H3,(H,38,39)/b30-25-