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

Systemtic Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C20H23N5O MolecularWeight: 349.42952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O/c1-2-9-18(26)25-20(22-15-17-12-7-4-8-13-17)23-19(24-25)21-14-16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3,(H2,21,22,23,24)