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

Systemtic Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3,5-bis(benzylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O/c1-2-17(25)24-19(21-14-16-11-7-4-8-12-16)22-18(23-24)20-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H2,20,21,22,23)