2,5-dimethyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrole-3-carboxamide Openeye Name: 2,5-dimethyl-1-(2-pyridyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-1-(2-pyridinyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolecarboxamide IUPAC Name: 2,5-dimethyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrole-3-carboxamide Traditional Name: 2,5-dimethyl-1-(2-pyridyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]pyrrole-3-carboxamide Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H22N6O/c1-16-11-20(17(2)28(16)21-5-3-4-10-24-21)22(29)25-12-18-6-8-19(9-7-18)13-27-15-23-14-26-27/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)