N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[(3-methoxypropylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]-3-(3-methoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H44N4O4 MolecularWeight: 560.72686

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)N5CCN(CC5)C6=CC=CC=C6OC

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C6=CC=CC=C6OC

InChI

InChI=1S/C33H44N4O4/c1-40-15-5-10-34-31(38)27-19-26(35-32(39)33-20-23-16-24(21-33)18-25(17-23)22-33)8-9-28(27)36-11-13-37(14-12-36)29-6-3-4-7-30(29)41-2/h3-4,6-9,19,23-25H,5,10-18,20-22H2,1-2H3,(H,34,38)(H,35,39)