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

Systemtic Name: 2-(1-adamantyl)-N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]acetamide Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C25H27ClN4O/c1-15-2-4-20(10-21(15)26)30-28-22-5-3-19(9-23(22)29-30)27-24(31)14-25-11-16-6-17(12-25)8-18(7-16)13-25/h2-5,9-10,16-18H,6-8,11-14H2,1H3,(H,27,31)