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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1N2CCCCCC2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C=CC=O

Isomeric SMILES

CC(C)C1=C(C(=C(N1N2CCCCCC2)C3=CC=CC=C3)C4=CC=C(C=C4)F)/C=C/C=O

InChI

InChI=1S/C28H31FN2O/c1-21(2)27-25(13-10-20-32)26(22-14-16-24(29)17-15-22)28(23-11-6-5-7-12-23)31(27)30-18-8-3-4-9-19-30/h5-7,10-17,20-21H,3-4,8-9,18-19H2,1-2H3/b13-10+