5-[3-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propyl]-1,2-dihydro-1,2,4-triazol-3-one

Systemtic Name: 5-[3-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propyl]-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-[1-(benzylamino)-3-oxo-3-phenyl-propyl]-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-[3-oxo-3-phenyl-1-[(phenylmethyl)amino]propyl]-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-[1-(benzylamino)-3-oxo-3-phenylpropyl]-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-[1-(benzylamino)-3-keto-3-phenyl-propyl]-1,2-dihydro-1,2,4-triazol-3-one Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)C2=CC=CC=C2)C3=NC(=O)NN3

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)C2=CC=CC=C2)C3=NC(=O)NN3

InChI

InChI=1S/C18H18N4O2/c23-16(14-9-5-2-6-10-14)11-15(17-20-18(24)22-21-17)19-12-13-7-3-1-4-8-13/h1-10,15,19H,11-12H2,(H2,20,21,22,24)