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

Systemtic Name: 3-[1-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde Openeye Name: 3-[1-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde CAS Name: 3-[1-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde IUPAC Name: 3-[1-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde Traditional Name: 3-[1-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CC3CCC3)C4=CC(=CC=C4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CC3CCC3)C4=CC(=CC=C4)C=O

InChI

InChI=1S/C21H21N3O2/c1-26-19-10-8-17(9-11-19)21-22-20(18-7-3-6-16(12-18)14-25)23-24(21)13-15-4-2-5-15/h3,6-12,14-15H,2,4-5,13H2,1H3