(E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(4-pyridylmethyl)-1H-pyrrol-2-yl]prop-2-en-1-one CAS Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(pyridin-4-ylmethyl)-1H-pyrrol-2-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-phenethyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-[3-(4-pyridylmethyl)-1H-pyrrol-2-yl]prop-2-en-1-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

C1NN=C(N1CCC2=CC=CC=C2)C(=O)C=CC3=C(C=CN3)CC4=CC=NC=C4

Isomeric SMILES

C1NN=C(N1CCC2=CC=CC=C2)C(=O)/C=C/C3=C(C=CN3)CC4=CC=NC=C4

InChI

InChI=1S/C23H23N5O/c29-22(23-27-26-17-28(23)15-11-18-4-2-1-3-5-18)7-6-21-20(10-14-25-21)16-19-8-12-24-13-9-19/h1-10,12-14,25-26H,11,15-17H2/b7-6+