N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-5-(4-pyridyl)triazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-5-pyridin-4-yl-4-triazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-N-piperonyl-5-(4-pyridyl)triazole-4-carboxamide Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=NC=C5)C

InChI

InChI=1S/C24H21N5O3/c1-15-3-5-19(11-16(15)2)29-23(18-7-9-25-10-8-18)22(27-28-29)24(30)26-13-17-4-6-20-21(12-17)32-14-31-20/h3-12H,13-14H2,1-2H3,(H,26,30)