(6Z)-4-chloranyl-3-oxidanyl-6-[4-(4-phenethylpiperazin-1-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-chloranyl-3-oxidanyl-6-[4-(4-phenethylpiperazin-1-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-chloro-3-hydroxy-6-[4-(4-phenethylpiperazin-1-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-chloro-3-hydroxy-6-[4-(4-phenethyl-1-piperazinyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-chloro-3-hydroxy-6-[4-(4-phenethylpiperazin-1-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-chloro-3-hydroxy-6-[4-(4-phenethylpiperazino)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23ClN4O2 MolecularWeight: 398.88592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=CNNC3=C4C=C(C(=CC4=O)O)Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C\3=CNN/C3=C\4/C=C(C(=CC4=O)O)Cl

InChI

InChI=1S/C21H23ClN4O2/c22-17-12-16(19(27)13-20(17)28)21-18(14-23-24-21)26-10-8-25(9-11-26)7-6-15-4-2-1-3-5-15/h1-5,12-14,23-24,28H,6-11H2/b21-16-