4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-propyl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-propyl-1H-pyrazol-3-one Openeye Name: 4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-propyl-1H-pyrazol-3-one CAS Name: 4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-phenyl-5-propyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-propyl-1H-pyrazol-3-one Traditional Name: 4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-5-propyl-3-pyrazolin-3-one Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C20H19BrN2O3/c1-3-7-17-15(10-13-11-16(21)19(24)18(12-13)26-2)20(25)23(22-17)14-8-5-4-6-9-14/h4-6,8-12,22H,3,7H2,1-2H3