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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholinoethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]-3-(2-morpholinoethylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C35H47N5O4 MolecularWeight: 601.77878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

InChI

InChI=1S/C35H47N5O4/c1-43-32-5-3-2-4-31(32)40-12-10-39(11-13-40)30-7-6-28(21-29(30)33(41)36-8-9-38-14-16-44-17-15-38)37-34(42)35-22-25-18-26(23-35)20-27(19-25)24-35/h2-7,21,25-27H,8-20,22-24H2,1H3,(H,36,41)(H,37,42)