1-[(Z)-4-(4-fluorophenyl)-4-phenyl-3-piperidin-1-yl-but-3-enyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione

Systemtic Name: 1-[(Z)-4-(4-fluorophenyl)-4-phenyl-3-piperidin-1-yl-but-3-enyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione Openeye Name: 1-[(Z)-4-(4-fluorophenyl)-4-phenyl-3-(1-piperidyl)but-3-enyl]-4-(2-pyridylmethyl)piperazine-2,6-dione CAS Name: 1-[(Z)-4-(4-fluorophenyl)-4-phenyl-3-(1-piperidinyl)but-3-enyl]-4-(2-pyridinylmethyl)piperazine-2,6-dione IUPAC Name: 1-[(Z)-4-(4-fluorophenyl)-4-phenyl-3-piperidin-1-ylbut-3-enyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione Traditional Name: 1-[(Z)-4-(4-fluorophenyl)-4-phenyl-3-piperidino-but-3-enyl]-4-(2-pyridylmethyl)piperazine-2,6-quinone Formula: C31H33FN4O2 MolecularWeight: 512.617723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)F)CCN4C(=O)CN(CC4=O)CC5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)F)/CCN4C(=O)CN(CC4=O)CC5=CC=CC=N5

InChI

InChI=1S/C31H33FN4O2/c32-26-14-12-25(13-15-26)31(24-9-3-1-4-10-24)28(35-18-7-2-8-19-35)16-20-36-29(37)22-34(23-30(36)38)21-27-11-5-6-17-33-27/h1,3-6,9-15,17H,2,7-8,16,18-23H2/b31-28-