N-(1-adamantyl)-N,1-diethyl-benzotriazole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-N,1-diethyl-benzotriazole-5-carboxamide Openeye Name: N-(1-adamantyl)-N,1-diethyl-benzotriazole-5-carboxamide CAS Name: N-(1-adamantyl)-N,1-diethyl-5-benzotriazolecarboxamide IUPAC Name: N-(1-adamantyl)-N,1-diethylbenzotriazole-5-carboxamide Traditional Name: N-(1-adamantyl)-N,1-diethyl-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)N(CC)C34CC5CC(C3)CC(C5)C4)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-3-24(21-11-14-7-15(12-21)9-16(8-14)13-21)20(26)17-5-6-19-18(10-17)22-23-25(19)4-2/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3