N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]heptanamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]enanthamide Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H32ClN3O2/c1-2-3-4-8-11-25(31)28-23-20-22(27)13-14-24(23)29-16-18-30(19-17-29)26(32)15-12-21-9-6-5-7-10-21/h5-7,9-10,12-15,20H,2-4,8,11,16-19H2,1H3,(H,28,31)/b15-12+