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

Systemtic Name: 2-bromanyl-4-(phenylmethyl)-6-[[[4-(4-propanoylpiperazin-1-yl)phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-2-bromo-6-[[4-(4-propanoylpiperazin-1-yl)anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]methylidene]-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-2-bromo-6-[[4-(4-propanoylpiperazin-1-yl)anilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-2-bromo-6-[[4-(4-propionylpiperazino)anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C27H28BrN3O2 MolecularWeight: 506.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O2/c1-2-26(32)31-14-12-30(13-15-31)24-10-8-23(9-11-24)29-19-22-17-21(18-25(28)27(22)33)16-20-6-4-3-5-7-20/h3-11,17-19,29H,2,12-16H2,1H3