2-[(4-tert-butylphenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[(4-tert-butylphenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-[(4-tert-butylphenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-(4-tert-butylbenzyl)-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)N(C=N2)C3=CC=C(C=C3)CNC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)N(C=N2)C3=CC=C(C=C3)CNC

InChI

InChI=1S/C21H26N4O/c1-21(2,3)18-9-5-17(6-10-18)14-25-20(26)24(15-23-25)19-11-7-16(8-12-19)13-22-4/h5-12,15,22H,13-14H2,1-4H3