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

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C35H46N4O3 MolecularWeight: 570.76474

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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)NC7CCCCC7

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NC7CCCCC7

InChI

InChI=1S/C35H46N4O3/c1-42-32-10-6-5-9-31(32)39-15-13-38(14-16-39)30-12-11-28(20-29(30)33(40)36-27-7-3-2-4-8-27)37-34(41)35-21-24-17-25(22-35)19-26(18-24)23-35/h5-6,9-12,20,24-27H,2-4,7-8,13-19,21-23H2,1H3,(H,36,40)(H,37,41)