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

Systemtic Name: (6Z)-4-bromanyl-3-oxidanyl-6-(4-piperazin-1-yl-2-propan-2-yl-1H-pyrazol-5-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-bromo-3-hydroxy-6-(2-isopropyl-4-piperazin-1-yl-1H-pyrazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-bromo-3-hydroxy-6-[4-(1-piperazinyl)-2-propan-2-yl-1H-pyrazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-bromo-3-hydroxy-6-(4-piperazin-1-yl-2-propan-2-yl-1H-pyrazol-5-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-bromo-3-hydroxy-6-(1-isopropyl-4-piperazino-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C16H21BrN4O2 MolecularWeight: 381.26754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=C2C=C(C(=CC2=O)O)Br)N1)N3CCNCC3

Isomeric SMILES

CC(C)N1C=C(/C(=C/2\C=C(C(=CC2=O)O)Br)/N1)N3CCNCC3

InChI

InChI=1S/C16H21BrN4O2/c1-10(2)21-9-13(20-5-3-18-4-6-20)16(19-21)11-7-12(17)15(23)8-14(11)22/h7-10,18-19,23H,3-6H2,1-2H3/b16-11-