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

Systemtic Name: N-[3-(3-methoxypropylcarbamoyl)-4-piperidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-methoxypropylcarbamoyl)-4-(1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-methoxypropylamino)-oxomethyl]-4-(1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-methoxypropylcarbamoyl)-4-piperidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(3-methoxypropylcarbamoyl)-4-piperidino-phenyl]adamantane-1-carboxamide Formula: C27H39N3O3 MolecularWeight: 453.61686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O3/c1-33-11-5-8-28-25(31)23-15-22(6-7-24(23)30-9-3-2-4-10-30)29-26(32)27-16-19-12-20(17-27)14-21(13-19)18-27/h6-7,15,19-21H,2-5,8-14,16-18H2,1H3,(H,28,31)(H,29,32)