4-[[3,5-bis[(2R)-butan-2-yl]-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3,5-bis[(2R)-butan-2-yl]-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3,5-bis[(1R)-1-methylpropyl]-4-oxo-cyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3,5-bis[(2R)-butan-2-yl]-4-oxo-1-cyclohexa-2,5-dienylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3,5-bis[(2R)-butan-2-yl]-4-oxocyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-keto-3,5-bis[(1R)-1-methylpropyl]cyclohexa-2,5-dien-1-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C(C)CC

Isomeric SMILES

CC[C@@H](C)C1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)[C@H](C)CC

InChI

InChI=1S/C25H31N3O2/c1-7-16(3)21-14-19(15-22(24(21)29)17(4)8-2)26-23-18(5)27(6)28(25(23)30)20-12-10-9-11-13-20/h9-17H,7-8H2,1-6H3/t16-,17-/m1/s1