N-[(4-methylphenyl)methyl]-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide Openeye Name: 3-(5-methyltetrazol-2-yl)-N-(p-tolylmethyl)adamantane-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-3-(5-methyl-2-tetrazolyl)-1-adamantanecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(4-methylbenzyl)-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5N=C(N=N5)C

InChI

InChI=1S/C21H27N5O/c1-14-3-5-16(6-4-14)12-22-19(27)20-8-17-7-18(9-20)11-21(10-17,13-20)26-24-15(2)23-25-26/h3-6,17-18H,7-13H2,1-2H3,(H,22,27)