N-[2-(1-adamantyl)-1-(benzotriazol-1-yl)ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[2-(1-adamantyl)-1-(benzotriazol-1-yl)ethyl]-4-chloranyl-benzamide Openeye Name: N-[2-(1-adamantyl)-1-(benzotriazol-1-yl)ethyl]-4-chloro-benzamide CAS Name: N-[2-(1-adamantyl)-1-(1-benzotriazolyl)ethyl]-4-chlorobenzamide IUPAC Name: N-[2-(1-adamantyl)-1-(benzotriazol-1-yl)ethyl]-4-chlorobenzamide Traditional Name: N-[2-(1-adamantyl)-1-(benzotriazol-1-yl)ethyl]-4-chloro-benzamide Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(NC(=O)C4=CC=C(C=C4)Cl)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(NC(=O)C4=CC=C(C=C4)Cl)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H27ClN4O/c26-20-7-5-19(6-8-20)24(31)27-23(30-22-4-2-1-3-21(22)28-29-30)15-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18,23H,9-15H2,(H,27,31)