(E)-N-[4-(4-diphenylphosphorylpiperazin-1-yl)butyl]-3-pyridin-3-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-(4-diphenylphosphorylpiperazin-1-yl)butyl]-3-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-N-[4-(4-diphenylphosphorylpiperazin-1-yl)butyl]-3-(3-pyridyl)prop-2-enamide CAS Name: (E)-N-[4-(4-diphenylphosphoryl-1-piperazinyl)butyl]-3-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-diphenylphosphorylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide Traditional Name: (E)-N-[4-(4-diphenylphosphorylpiperazino)butyl]-3-(3-pyridyl)acrylamide Formula: C28H33N4O2P MolecularWeight: 488.560981

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C=CC2=CN=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)/C=C/C2=CN=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N4O2P/c33-28(16-15-25-10-9-17-29-24-25)30-18-7-8-19-31-20-22-32(23-21-31)35(34,26-11-3-1-4-12-26)27-13-5-2-6-14-27/h1-6,9-17,24H,7-8,18-23H2,(H,30,33)/b16-15+