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

Systemtic Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Openeye Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(o-tolyl)methanone CAS Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone IUPAC Name: [5-[(4-dimethylaminophenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(2-methylphenyl)methanone Traditional Name: [5-[[4-(dimethylamino)benzyl]amino]-3-phenyl-1,2,4-triazol-1-yl]-(o-tolyl)methanone Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H25N5O/c1-18-9-7-8-12-22(18)24(31)30-25(27-23(28-30)20-10-5-4-6-11-20)26-17-19-13-15-21(16-14-19)29(2)3/h4-16H,17H2,1-3H3,(H,26,27,28)