N-[1-(1-adamantyl)ethyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-1-ethyl-benzotriazole-5-carboxamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)N=N1

InChI

InChI=1S/C21H28N4O/c1-3-25-19-5-4-17(9-18(19)23-24-25)20(26)22-13(2)21-10-14-6-15(11-21)8-16(7-14)12-21/h4-5,9,13-16H,3,6-8,10-12H2,1-2H3,(H,22,26)