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

Systemtic Name: 2-bromanyl-6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methylidene]-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-2-bromo-6-[[4-(4-butyrylpiperazino)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C28H30BrN3O2 MolecularWeight: 520.4607

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)Br)CC4=CC=CC=C4

InChI

InChI=1S/C28H30BrN3O2/c1-2-6-27(33)32-15-13-31(14-16-32)25-11-9-24(10-12-25)30-20-23-18-22(19-26(29)28(23)34)17-21-7-4-3-5-8-21/h3-5,7-12,18-20,30H,2,6,13-17H2,1H3