(E)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[6-(4-isovalerylpiperazino)-3-pyridyl]-3-phenyl-acrylamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-18(2)16-23(29)27-14-12-26(13-15-27)21-10-9-20(17-24-21)25-22(28)11-8-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,28)/b11-8+