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

Systemtic Name: N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methyl-butanamide CAS Name: N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-methylbutanamide IUPAC Name: N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methylbutanamide Traditional Name: N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-methyl-butyramide Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O2/c1-18(2)16-23(29)26-20-9-10-22(21(25)17-20)27-12-14-28(15-13-27)24(30)11-8-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,26,29)/b11-8+