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

Systemtic Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-16(2)13-19(27)26-21(23-15-18-11-7-4-8-12-18)24-20(25-26)22-14-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H2,22,23,24,25)