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

Systemtic Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-3-(2-furyl)acrylamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CO3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CO3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-2-4-21(27)25-12-10-24(11-13-25)19-8-6-16(15-18(19)22)23-20(26)9-7-17-5-3-14-28-17/h3,5-9,14-15H,2,4,10-13H2,1H3,(H,23,26)/b9-7+