N-(3,4-dimethylphenyl)-1-[3-(2-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-[3-(2-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-[3-(2-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-[3-(2-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-[3-(2-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-[3-(2-phenylpropylamino)propyl]-1,2,4-triazole-3-carboxamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CCCNCC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CCCNCC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H29N5O/c1-17-10-11-21(14-18(17)2)26-23(29)22-25-16-28(27-22)13-7-12-24-15-19(3)20-8-5-4-6-9-20/h4-6,8-11,14,16,19,24H,7,12-13,15H2,1-3H3,(H,26,29)