N-(1-adamantyl)-3-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]propanamide

Systemtic Name: N-(1-adamantyl)-3-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-piperidin-3-yl]propanamide Openeye Name: N-(1-adamantyl)-3-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]propanamide CAS Name: N-(1-adamantyl)-3-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidinyl]propanamide IUPAC Name: N-(1-adamantyl)-3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propanamide Traditional Name: N-(1-adamantyl)-3-[(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-piperidyl]propionamide Formula: C25H35ClN2O MolecularWeight: 415.0112

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN1CC[C@@H]([C@H](C1)CCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H35ClN2O/c1-28-9-8-23(20-2-5-22(26)6-3-20)21(16-28)4-7-24(29)27-25-13-17-10-18(14-25)12-19(11-17)15-25/h2-3,5-6,17-19,21,23H,4,7-16H2,1H3,(H,27,29)/t17?,18?,19?,21-,23+,25?/m0/s1