3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(3-methylbutanoyl)-1,2,3-triazol-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(3-methylbutanoyl)-1,2,3-triazol-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(3-methylbutanoyl)triazol-1-yl]-3-pyridyl]benzamide CAS Name: 3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(3-methyl-1-oxobutyl)-1-triazolyl]-3-pyridinyl]benzamide IUPAC Name: 3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(3-methylbutanoyl)triazol-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-tert-butyl-5-cyano-N-[5-(4-isovaleryltriazol-1-yl)-6-methyl-3-pyridyl]benzamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1N2C=C(N=N2)C(=O)CC(C)C)NC(=O)C3=CC(=CC(=C3)C#N)C(C)(C)C

Isomeric SMILES

CC1=NC=C(C=C1N2C=C(N=N2)C(=O)CC(C)C)NC(=O)C3=CC(=CC(=C3)C#N)C(C)(C)C

InChI

InChI=1S/C25H28N6O2/c1-15(2)7-23(32)21-14-31(30-29-21)22-11-20(13-27-16(22)3)28-24(33)18-8-17(12-26)9-19(10-18)25(4,5)6/h8-11,13-15H,7H2,1-6H3,(H,28,33)