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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methyl-pentanamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methyl-pentanamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-4-methylpentanamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-4-methylpentanamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-4-methyl-valeramide Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O2/c1-19(2)8-12-24(30)27-21-10-11-23(22(26)18-21)28-14-16-29(17-15-28)25(31)13-9-20-6-4-3-5-7-20/h3-7,9-11,13,18-19H,8,12,14-17H2,1-2H3,(H,27,30)/b13-9+