[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-phenethylpiperazin-1-yl)methanone

Systemtic Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-phenethylpiperazin-1-yl)methanone Openeye Name: (4-phenethylpiperazin-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone CAS Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-phenethyl-1-piperazinyl)methanone IUPAC Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-phenethylpiperazin-1-yl)methanone Traditional Name: (4-phenethylpiperazino)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone Formula: C30H38N2O MolecularWeight: 442.63552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)CCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)N5CCN(CC5)CCC6=CC=CC=C6

InChI

InChI=1S/C30H38N2O/c1-23-7-9-27(10-8-23)29-18-25-17-26(19-29)21-30(20-25,22-29)28(33)32-15-13-31(14-16-32)12-11-24-5-3-2-4-6-24/h2-10,25-26H,11-22H2,1H3/t25-,26+,29?,30?