4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-[(E)-3-phenylacryloyl]piperazino]butan-1-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c29-24(12-6-9-21-19-26-23-11-5-4-10-22(21)23)27-15-17-28(18-16-27)25(30)14-13-20-7-2-1-3-8-20/h1-5,7-8,10-11,13-14,19,26H,6,9,12,15-18H2/b14-13+