(5S,7R)-3-acetamido-N-[(1R)-1-pyridin-4-ylethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[(1R)-1-pyridin-4-ylethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[(1R)-1-(4-pyridyl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[(1R)-1-pyridin-4-ylethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[(1R)-1-pyridin-4-ylethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[(1R)-1-(4-pyridyl)ethyl]adamantane-1-carboxamide Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-13(17-3-5-21-6-4-17)22-18(25)19-8-15-7-16(9-19)11-20(10-15,12-19)23-14(2)24/h3-6,13,15-16H,7-12H2,1-2H3,(H,22,25)(H,23,24)/t13-,15-,16+,19?,20?/m1/s1