[2-[3-(hydroxymethyl)-5-undecyl-1,2,4-triazol-4-yl]phenyl]-phenyl-methanone

Systemtic Name: [2-[3-(hydroxymethyl)-5-undecyl-1,2,4-triazol-4-yl]phenyl]-phenyl-methanone Openeye Name: [2-[3-(hydroxymethyl)-5-undecyl-1,2,4-triazol-4-yl]phenyl]-phenyl-methanone CAS Name: [2-[3-(hydroxymethyl)-5-undecyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone IUPAC Name: [2-[3-(hydroxymethyl)-5-undecyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone Traditional Name: [2-(3-methylol-5-undecyl-1,2,4-triazol-4-yl)phenyl]-phenyl-methanone Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2C(=O)C3=CC=CC=C3)CO

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2C(=O)C3=CC=CC=C3)CO

InChI

InChI=1S/C27H35N3O2/c1-2-3-4-5-6-7-8-9-13-20-25-28-29-26(21-31)30(25)24-19-15-14-18-23(24)27(32)22-16-11-10-12-17-22/h10-12,14-19,31H,2-9,13,20-21H2,1H3