1-(4-fluorophenyl)carbonyl-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]azepan-2-one Openeye Name: 3-(4-cinnamylpiperazin-1-yl)-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]azepan-2-one Traditional Name: 3-(4-cinnamylpiperazino)-1-(4-fluorobenzoyl)azepan-2-one Formula: C26H30FN3O2 MolecularWeight: 435.533703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN3O2/c27-23-13-11-22(12-14-23)25(31)30-16-5-4-10-24(26(30)32)29-19-17-28(18-20-29)15-6-9-21-7-2-1-3-8-21/h1-3,6-9,11-14,24H,4-5,10,15-20H2