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

Systemtic Name: 3-[2-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde Openeye Name: 3-[2-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde CAS Name: 3-[2-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde IUPAC Name: 3-[2-(cyclobutylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde Traditional Name: 3-[2-(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=NN(C(=N2)C3=CC(=CC=C3)C=O)CC4CCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC(=CC=C3)C=O)CC4CCC4

InChI

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