N-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-5-phenyl-1-(p-tolyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-5-phenyl-1-(p-tolyl)-1,2,4-triazole-3-carboxamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NCCCN(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NCCCN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O/c1-16-10-12-18(13-11-16)26-20(17-8-5-4-6-9-17)23-19(24-26)21(27)22-14-7-15-25(2)3/h4-6,8-13H,7,14-15H2,1-3H3,(H,22,27)