4-[4-(methylaminomethyl)phenyl]-2-(phenylmethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-[4-(methylaminomethyl)phenyl]-2-(phenylmethyl)-1,2,4-triazol-3-one Openeye Name: 2-benzyl-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 4-[4-(methylaminomethyl)phenyl]-2-(phenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 2-benzyl-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-benzyl-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)N2C=NN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CNCC1=CC=C(C=C1)N2C=NN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O/c1-18-11-14-7-9-16(10-8-14)20-13-19-21(17(20)22)12-15-5-3-2-4-6-15/h2-10,13,18H,11-12H2,1H3