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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-methylpropylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(isobutylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[(2-methylpropylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-methylpropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(isobutylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C33H44N4O3 MolecularWeight: 544.72746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N4O3/c1-22(2)21-34-31(38)27-17-26(35-32(39)33-18-23-14-24(19-33)16-25(15-23)20-33)8-9-28(27)36-10-12-37(13-11-36)29-6-4-5-7-30(29)40-3/h4-9,17,22-25H,10-16,18-21H2,1-3H3,(H,34,38)(H,35,39)