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

Systemtic Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-butyrylpiperazino)phenyl]-3-(4-chlorophenyl)acrylamide Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O2/c1-2-3-23(29)27-16-14-26(15-17-27)21-11-9-20(10-12-21)25-22(28)13-6-18-4-7-19(24)8-5-18/h4-13H,2-3,14-17H2,1H3,(H,25,28)/b13-6+