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

Systemtic Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-butyrylpiperazino)phenyl]-3-(4-ethoxy-3-methoxy-phenyl)acrylamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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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)OCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-4-6-26(31)29-17-15-28(16-18-29)22-11-9-21(10-12-22)27-25(30)14-8-20-7-13-23(33-5-2)24(19-20)32-3/h7-14,19H,4-6,15-18H2,1-3H3,(H,27,30)/b14-8+