(Z)-3-(3-azanyl-2-ethanoyl-1-benzofuran-5-yl)-1-[4-(phenylmethyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (Z)-3-(3-azanyl-2-ethanoyl-1-benzofuran-5-yl)-1-[4-(phenylmethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (Z)-3-(2-acetyl-3-amino-benzofuran-5-yl)-1-(4-benzylpiperazin-1-yl)but-2-en-1-one CAS Name: (Z)-3-(2-acetyl-3-amino-5-benzofuranyl)-1-[4-(phenylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-(4-benzylpiperazin-1-yl)but-2-en-1-one Traditional Name: (Z)-3-(2-acetyl-3-amino-benzofuran-5-yl)-1-(4-benzylpiperazino)but-2-en-1-one Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4N)C(=O)C

Isomeric SMILES

C/C(=C/C(=O)N1CCN(CC1)CC2=CC=CC=C2)/C3=CC4=C(C=C3)OC(=C4N)C(=O)C

InChI

InChI=1S/C25H27N3O3/c1-17(20-8-9-22-21(15-20)24(26)25(31-22)18(2)29)14-23(30)28-12-10-27(11-13-28)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16,26H2,1-2H3/b17-14-