3-[5-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]benzaldehyde

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]benzaldehyde Openeye Name: 3-[5-(4-methoxyphenyl)-1-(4-pyridylmethyl)-1,2,4-triazol-3-yl]benzaldehyde CAS Name: 3-[5-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]benzaldehyde IUPAC Name: 3-[5-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]benzaldehyde Traditional Name: 3-[5-(4-methoxyphenyl)-1-(4-pyridylmethyl)-1,2,4-triazol-3-yl]benzaldehyde Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CC3=CC=NC=C3)C4=CC(=CC=C4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CC3=CC=NC=C3)C4=CC(=CC=C4)C=O

InChI

InChI=1S/C22H18N4O2/c1-28-20-7-5-18(6-8-20)22-24-21(19-4-2-3-17(13-19)15-27)25-26(22)14-16-9-11-23-12-10-16/h2-13,15H,14H2,1H3