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

Systemtic Name: 1-[3-phenyl-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-(benzylamino)-3-phenyl-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-phenyl-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-(benzylamino)-3-phenyl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-(benzylamino)-3-phenyl-1,2,4-triazol-1-yl]propan-1-one Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O/c1-2-16(23)22-18(19-13-14-9-5-3-6-10-14)20-17(21-22)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,19,20,21)