2-(1-adamantyl)-N-[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]acetamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C25H27ClN4O2/c1-32-23-5-3-19(10-20(23)26)30-28-21-4-2-18(9-22(21)29-30)27-24(31)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H,27,31)