(E)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)-N-[3-chloro-4-(3-ketopiperazino)phenyl]acrylamide Formula: C23H24ClN3O4 MolecularWeight: 441.90736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)OCC=C

InChI

InChI=1S/C23H24ClN3O4/c1-3-12-31-20-8-4-16(13-21(20)30-2)5-9-22(28)26-17-6-7-19(18(24)14-17)27-11-10-25-23(29)15-27/h3-9,13-14H,1,10-12,15H2,2H3,(H,25,29)(H,26,28)/b9-5+