(5S,7R)-N-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-[(1R)-2-amino-2-keto-1-methyl-ethyl]-3-(p-tolyl)adamantane-1-carboxamide Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC(C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-13-3-5-17(6-4-13)20-8-15-7-16(9-20)11-21(10-15,12-20)19(25)23-14(2)18(22)24/h3-6,14-16H,7-12H2,1-2H3,(H2,22,24)(H,23,25)/t14-,15-,16+,20?,21?/m1/s1