(E)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-phenyl-acrylamide Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)Cl

InChI

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