N-[3-(2-diethylaminoethylcarbamoyl)-4-piperidin-1-yl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-piperidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-(1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(2-diethylaminoethylamino)-oxomethyl]-4-(1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-piperidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-piperidino-phenyl]adamantane-1-carboxamide Formula: C29H44N4O2 MolecularWeight: 480.68526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCCC5

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCCC5

InChI

InChI=1S/C29H44N4O2/c1-3-32(4-2)13-10-30-27(34)25-17-24(8-9-26(25)33-11-6-5-7-12-33)31-28(35)29-18-21-14-22(19-29)16-23(15-21)20-29/h8-9,17,21-23H,3-7,10-16,18-20H2,1-2H3,(H,30,34)(H,31,35)