3-azanyl-N-[2,6-di(propan-2-yl)phenyl]-5-dodecyl-1,2,4-triazole-4-carboxamide

Systemtic Name: 3-azanyl-N-[2,6-di(propan-2-yl)phenyl]-5-dodecyl-1,2,4-triazole-4-carboxamide Openeye Name: 3-amino-N-(2,6-diisopropylphenyl)-5-dodecyl-1,2,4-triazole-4-carboxamide CAS Name: 3-amino-N-[2,6-di(propan-2-yl)phenyl]-5-dodecyl-1,2,4-triazole-4-carboxamide IUPAC Name: 3-amino-N-[2,6-di(propan-2-yl)phenyl]-5-dodecyl-1,2,4-triazole-4-carboxamide Traditional Name: 3-amino-N-(2,6-diisopropylphenyl)-5-lauryl-1,2,4-triazole-4-carboxamide Formula: C27H45N5O MolecularWeight: 455.6791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NN=C(N1C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)N

Isomeric SMILES

CCCCCCCCCCCCC1=NN=C(N1C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)N

InChI

InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-24-30-31-26(28)32(24)27(33)29-25-22(20(2)3)17-16-18-23(25)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H2,28,31)(H,29,33)