(6Z)-4-bromanyl-3-oxidanyl-6-[2-(phenylmethyl)-4-piperazin-1-yl-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-bromanyl-3-oxidanyl-6-[2-(phenylmethyl)-4-piperazin-1-yl-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(2-benzyl-4-piperazin-1-yl-1H-pyrazol-5-ylidene)-4-bromo-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-bromo-3-hydroxy-6-[2-(phenylmethyl)-4-(1-piperazinyl)-1H-pyrazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-benzyl-4-piperazin-1-yl-1H-pyrazol-5-ylidene)-4-bromo-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-(1-benzyl-4-piperazino-3-pyrazolin-3-ylidene)-4-bromo-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C20H21BrN4O2 MolecularWeight: 429.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN(NC2=C3C=C(C(=CC3=O)O)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C\2=CN(N/C2=C\3/C=C(C(=CC3=O)O)Br)CC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4O2/c21-16-10-15(18(26)11-19(16)27)20-17(24-8-6-22-7-9-24)13-25(23-20)12-14-4-2-1-3-5-14/h1-5,10-11,13,22-23,27H,6-9,12H2/b20-15-