[(5S,7R)-3-bromanyl-1-adamantyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [(5S,7R)-3-bromanyl-1-adamantyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone Openeye Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone CAS Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-hydroxyphenyl)-1-piperazinyl]methanone IUPAC Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone Traditional Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-hydroxyphenyl)piperazino]methanone Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H27BrN2O2/c22-21-12-15-9-16(13-21)11-20(10-15,14-21)19(26)24-7-5-23(6-8-24)17-1-3-18(25)4-2-17/h1-4,15-16,25H,5-14H2/t15-,16+,20?,21?