N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-2-carboxamide

Systemtic Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-2-carboxamide Openeye Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-2-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-2-adamantanecarboxamide IUPAC Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-2-carboxamide Traditional Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-2-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2C3CC4CC(C3)CC2C4)N5C=NC=N5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2C3CC4CC(C3)CC2C4)N5C=NC=N5

InChI

InChI=1S/C22H27N5O2/c1-13(27-12-23-11-24-27)21(28)25-18-2-4-19(5-3-18)26-22(29)20-16-7-14-6-15(9-16)10-17(20)8-14/h2-5,11-17,20H,6-10H2,1H3,(H,25,28)(H,26,29)