(4-tert-butylphenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]methanone Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C28H31N5O/c1-28(2,3)23-15-13-22(14-16-23)26(34)33-27(30-25(31-33)21-9-7-6-8-10-21)29-19-20-11-17-24(18-12-20)32(4)5/h6-18H,19H2,1-5H3,(H,29,30,31)