N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C27H28ClN3O3 MolecularWeight: 477.98252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClN3O3/c1-2-3-27(33)31-18-16-30(17-19-31)23-10-8-22(9-11-23)29-26(32)15-13-24-12-14-25(34-24)20-4-6-21(28)7-5-20/h4-15H,2-3,16-19H2,1H3,(H,29,32)