N-[4-(1-adamantyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCN5C=NC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CCN5C=NC=N5

InChI

InChI=1S/C21H26N4O/c26-20(5-6-25-14-22-13-23-25)24-19-3-1-18(2-4-19)21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,13-17H,5-12H2,(H,24,26)