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

Systemtic Name: N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-ethoxypropylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C34H46N4O4 MolecularWeight: 574.75344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H46N4O4/c1-3-42-16-6-11-35-32(39)28-20-27(36-33(40)34-21-24-17-25(22-34)19-26(18-24)23-34)9-10-29(28)37-12-14-38(15-13-37)30-7-4-5-8-31(30)41-2/h4-5,7-10,20,24-26H,3,6,11-19,21-23H2,1-2H3,(H,35,39)(H,36,40)