(5R,7S)-N-[2-(4-methylphenyl)ethyl]-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5R,7S)-N-[2-(4-methylphenyl)ethyl]-3-(5-methyl-1,2,3,4-tetrazol-2-yl)adamantane-1-carboxamide Openeye Name: (5R,7S)-3-(5-methyltetrazol-2-yl)-N-[2-(p-tolyl)ethyl]adamantane-1-carboxamide CAS Name: (5R,7S)-N-[2-(4-methylphenyl)ethyl]-3-(5-methyl-2-tetrazolyl)-1-adamantanecarboxamide IUPAC Name: (5R,7S)-N-[2-(4-methylphenyl)ethyl]-3-(5-methyltetrazol-2-yl)adamantane-1-carboxamide Traditional Name: (5R,7S)-3-(5-methyltetrazol-2-yl)-N-[2-(p-tolyl)ethyl]adamantane-1-carboxamide Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5N=C(N=N5)C

InChI

InChI=1S/C22H29N5O/c1-15-3-5-17(6-4-15)7-8-23-20(28)21-10-18-9-19(11-21)13-22(12-18,14-21)27-25-16(2)24-26-27/h3-6,18-19H,7-14H2,1-2H3,(H,23,28)/t18-,19+,21?,22?