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

Systemtic Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]ethanone Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O/c1-14(24)23-18(20-13-16-10-6-3-7-11-16)21-17(22-23)19-12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H2,19,20,21,22)