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

Systemtic Name: ethyl 2-[(5Z)-5-(3-bromanyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-piperazin-1-yl-1H-pyrazol-2-yl]ethanoate Openeye Name: ethyl 2-[(5Z)-5-(3-bromo-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-piperazin-1-yl-1H-pyrazol-2-yl]acetate CAS Name: 2-[(5Z)-5-(3-bromo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-4-(1-piperazinyl)-1H-pyrazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5Z)-5-(3-bromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-piperazin-1-yl-1H-pyrazol-2-yl]acetate Traditional Name: 2-[(3Z)-3-(3-bromo-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-piperazino-3-pyrazolin-1-yl]acetic acid ethyl ester Formula: C17H21BrN4O4 MolecularWeight: 425.27704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=C2C=C(C(=CC2=O)O)Br)N1)N3CCNCC3

Isomeric SMILES

CCOC(=O)CN1C=C(/C(=C/2\C=C(C(=CC2=O)O)Br)/N1)N3CCNCC3

InChI

InChI=1S/C17H21BrN4O4/c1-2-26-16(25)10-22-9-13(21-5-3-19-4-6-21)17(20-22)11-7-12(18)15(24)8-14(11)23/h7-9,19-20,24H,2-6,10H2,1H3/b17-11-