2-[4-[(3Z)-3-(3-chloranyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(3Z)-3-(3-chloranyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[(3Z)-3-(3-chloro-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(3Z)-3-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[(3Z)-3-(3-chloro-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-[(3Z)-3-(3-chloro-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]piperazino]acetonitrile Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C2=CNNC2=C3C=C(C(=CC3=O)O)Cl

Isomeric SMILES

C1CN(CCN1CC#N)C\2=CNN/C2=C\3/C=C(C(=CC3=O)O)Cl

InChI

InChI=1S/C15H16ClN5O2/c16-11-7-10(13(22)8-14(11)23)15-12(9-18-19-15)21-5-3-20(2-1-17)4-6-21/h7-9,18-19,23H,2-6H2/b15-10-