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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]heptanamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]heptanamide Traditional Name: N-[3-chloro-4-[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=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O2/c1-2-3-4-8-11-25(31)28-22-13-14-24(23(27)20-22)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+