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

Systemtic Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]adamantane-1-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)C23CC4CC(C2)CC(C4)C3)N5C=NC=N5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5C=NC=N5

InChI

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