azepan-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone

Systemtic Name: azepan-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone Openeye Name: azepan-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone CAS Name: 1-azepanyl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone IUPAC Name: azepan-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone Traditional Name: azepan-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone Formula: C19H28N4O MolecularWeight: 328.45182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

C1CCCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

InChI

InChI=1S/C19H28N4O/c24-17(22-5-3-1-2-4-6-22)18-8-15-7-16(9-18)11-19(10-15,12-18)23-14-20-13-21-23/h13-16H,1-12H2