N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-chlorobenzotriazol-1-yl)oxy-acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-chloro-1-benzotriazolyl)oxy]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-chlorobenzotriazol-1-yl)oxyacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-chlorobenzotriazol-1-yl)oxy-acetamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CON4C5=C(C=CC(=C5)Cl)N=N4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CON4C5=C(C=CC(=C5)Cl)N=N4

InChI

InChI=1S/C20H25ClN4O2/c1-12(20-8-13-4-14(9-20)6-15(5-13)10-20)22-19(26)11-27-25-18-7-16(21)2-3-17(18)23-24-25/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,22,26)/t12-,13?,14?,15?,20?/m1/s1