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3-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid

3-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid

Systemtic Name:3-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid
Openeye Name:3-[4-[(5-isopropyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid
CAS Name:3-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-4-pyridinecarboxylic acid
IUPAC Name:3-[4-[(5-propan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid
Traditional Name:3-[4-[(5-isopropyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]isonicotinic acid
Formula: C21H24N4O2
MolecularWeight: 364.44086
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(C)C)CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)O


Isomeric SMILES

CCCN1C(=NC(=N1)C(C)C)CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)O


InChI

InChI=1S/C21H24N4O2/c1-4-11-25-19(23-20(24-25)14(2)3)12-15-5-7-16(8-6-15)18-13-22-10-9-17(18)21(26)27/h5-10,13-14H,4,11-12H2,1-3H3,(H,26,27)


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