2-bromanyl-6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 2-bromanyl-6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-4-methyl-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-6-[[4-(4-butyrylpiperazino)anilino]methylene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)Br)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)Br)C

InChI

InChI=1S/C22H26BrN3O2/c1-3-4-21(27)26-11-9-25(10-12-26)19-7-5-18(6-8-19)24-15-17-13-16(2)14-20(23)22(17)28/h5-8,13-15,24H,3-4,9-12H2,1-2H3