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

Systemtic Name: (E)-3-[4-(4-fluorophenyl)-1-(4-methylpiperidin-1-yl)-5-phenyl-2-propan-2-yl-pyrrol-3-yl]prop-2-enal Openeye Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-1-(4-methyl-1-piperidyl)-5-phenyl-pyrrol-3-yl]prop-2-enal CAS Name: (E)-3-[4-(4-fluorophenyl)-1-(4-methyl-1-piperidinyl)-5-phenyl-2-propan-2-yl-3-pyrrolyl]-2-propenal IUPAC Name: (E)-3-[4-(4-fluorophenyl)-1-(4-methylpiperidin-1-yl)-5-phenyl-2-propan-2-ylpyrrol-3-yl]prop-2-enal Traditional Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-1-(4-methylpiperidino)-5-phenyl-pyrrol-3-yl]acrolein Formula: C28H31FN2O MolecularWeight: 430.556943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)N2C(=C(C(=C2C(C)C)C=CC=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)N2C(=C(C(=C2C(C)C)/C=C/C=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C28H31FN2O/c1-20(2)27-25(10-7-19-32)26(22-11-13-24(29)14-12-22)28(23-8-5-4-6-9-23)31(27)30-17-15-21(3)16-18-30/h4-14,19-21H,15-18H2,1-3H3/b10-7+