(E)-N-[4-[4-(2-phenylphenyl)piperazin-1-yl]but-2-ynyl]-3-pyridin-3-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[4-(2-phenylphenyl)piperazin-1-yl]but-2-ynyl]-3-pyridin-3-yl-but-2-enamide Openeye Name: (E)-N-[4-[4-(2-phenylphenyl)piperazin-1-yl]but-2-ynyl]-3-(3-pyridyl)but-2-enamide CAS Name: (E)-N-[4-[4-(2-phenylphenyl)-1-piperazinyl]but-2-ynyl]-3-(3-pyridinyl)-2-butenamide IUPAC Name: (E)-N-[4-[4-(2-phenylphenyl)piperazin-1-yl]but-2-ynyl]-3-pyridin-3-ylbut-2-enamide Traditional Name: (E)-N-[4-[4-(2-phenylphenyl)piperazino]but-2-ynyl]-3-(3-pyridyl)but-2-enamide Formula: C29H30N4O MolecularWeight: 450.5747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCC#CCN1CCN(CC1)C2=CC=CC=C2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C/C(=C\C(=O)NCC#CCN1CCN(CC1)C2=CC=CC=C2C3=CC=CC=C3)/C4=CN=CC=C4

InChI

InChI=1S/C29H30N4O/c1-24(26-12-9-15-30-23-26)22-29(34)31-16-7-8-17-32-18-20-33(21-19-32)28-14-6-5-13-27(28)25-10-3-2-4-11-25/h2-6,9-15,22-23H,16-21H2,1H3,(H,31,34)/b24-22+