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

Systemtic Name: (3-chlorophenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: (3-chlorophenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]methanone CAS Name: (3-chlorophenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: (3-chlorophenyl)-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: (3-chlorophenyl)-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]methanone Formula: C25H24ClN5O MolecularWeight: 445.94396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClN5O/c1-17-7-11-19(12-8-17)23-28-25(27-16-18-9-13-22(14-10-18)30(2)3)31(29-23)24(32)20-5-4-6-21(26)15-20/h4-15H,16H2,1-3H3,(H,27,28,29)