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

Systemtic Name: N-[3-(2-methoxyethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-methoxyethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(2-methoxyethylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-methoxyethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(2-methoxyethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C32H42N4O4 MolecularWeight: 546.70028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N4O4/c1-39-14-9-33-30(37)26-18-25(34-31(38)32-19-22-15-23(20-32)17-24(16-22)21-32)7-8-27(26)35-10-12-36(13-11-35)28-5-3-4-6-29(28)40-2/h3-8,18,22-24H,9-17,19-21H2,1-2H3,(H,33,37)(H,34,38)