1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2/c30-22(18-31-21-14-8-3-9-15-21)29-24(26-17-20-12-6-2-7-13-20)27-23(28-29)25-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H2,25,26,27,28)