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

Systemtic Name: [3,5-bis[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]-phenyl-methanone Openeye Name: [3,5-bis(p-tolylmethylamino)-1,2,4-triazol-1-yl]-phenyl-methanone CAS Name: [3,5-bis[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]-phenylmethanone IUPAC Name: [3,5-bis[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]-phenylmethanone Traditional Name: [3,5-bis[(4-methylbenzyl)amino]-1,2,4-triazol-1-yl]-phenyl-methanone Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O/c1-18-8-12-20(13-9-18)16-26-24-28-25(27-17-21-14-10-19(2)11-15-21)30(29-24)23(31)22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H2,26,27,28,29)