(E)-3-[4-(4-fluorophenyl)-5-phenyl-1-piperidin-1-yl-2-propan-2-yl-pyrrol-3-yl]prop-2-enal

Systemtic Name: (E)-3-[4-(4-fluorophenyl)-5-phenyl-1-piperidin-1-yl-2-propan-2-yl-pyrrol-3-yl]prop-2-enal Openeye Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-5-phenyl-1-(1-piperidyl)pyrrol-3-yl]prop-2-enal CAS Name: (E)-3-[4-(4-fluorophenyl)-5-phenyl-1-(1-piperidinyl)-2-propan-2-yl-3-pyrrolyl]-2-propenal IUPAC Name: (E)-3-[4-(4-fluorophenyl)-5-phenyl-1-piperidin-1-yl-2-propan-2-ylpyrrol-3-yl]prop-2-enal Traditional Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-5-phenyl-1-piperidino-pyrrol-3-yl]acrolein Formula: C27H29FN2O MolecularWeight: 416.530363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1N2CCCCC2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C=CC=O

Isomeric SMILES

CC(C)C1=C(C(=C(N1N2CCCCC2)C3=CC=CC=C3)C4=CC=C(C=C4)F)/C=C/C=O

InChI

InChI=1S/C27H29FN2O/c1-20(2)26-24(12-9-19-31)25(21-13-15-23(28)16-14-21)27(22-10-5-3-6-11-22)30(26)29-17-7-4-8-18-29/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3/b12-9+