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2-(dimethylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone

2-(dimethylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone

Systemtic Name:2-(dimethylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone
Openeye Name:2-(dimethylamino)-1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethanone
CAS Name:2-(dimethylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone
IUPAC Name:2-(dimethylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone
Traditional Name:2-(dimethylamino)-1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethanone
Formula: C21H29NO
MolecularWeight: 311.46106
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29NO/c1-15-4-6-18(7-5-15)20-9-16-8-17(10-20)12-21(11-16,14-20)19(23)13-22(2)3/h4-7,16-17H,8-14H2,1-3H3/t16-,17+,20?,21?


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