(E)-3-(2-butyl-1-benzofuran-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-3-(2-butyl-1-benzofuran-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(2-butylbenzofuran-3-yl)but-2-en-1-one CAS Name: (E)-3-(2-butyl-3-benzofuranyl)-1-[4-(phenylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(2-butyl-1-benzofuran-3-yl)but-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazino)-3-(2-butylbenzofuran-3-yl)but-2-en-1-one Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C(=C/C(=O)N3CCN(CC3)CC4=CC=CC=C4)/C

InChI

InChI=1S/C27H32N2O2/c1-3-4-13-25-27(23-12-8-9-14-24(23)31-25)21(2)19-26(30)29-17-15-28(16-18-29)20-22-10-6-5-7-11-22/h5-12,14,19H,3-4,13,15-18,20H2,1-2H3/b21-19+