N-(4-butan-2-ylphenyl)-3-(1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-3-(1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(4-sec-butylphenyl)-3-(tetrazol-2-yl)adamantane-1-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-3-(2-tetrazolyl)-1-adamantanecarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-3-(tetrazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(4-sec-butylphenyl)-3-(tetrazol-2-yl)adamantane-1-carboxamide Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=CN=N5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=CN=N5

InChI

InChI=1S/C22H29N5O/c1-3-15(2)18-4-6-19(7-5-18)25-20(28)21-9-16-8-17(10-21)12-22(11-16,13-21)27-24-14-23-26-27/h4-7,14-17H,3,8-13H2,1-2H3,(H,25,28)