2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-cyclohexylamino]-N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C29H46N4O2 MolecularWeight: 482.70114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(C2CCCCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(C2CCCCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H46N4O2/c1-21(2)18-32(19-26-10-7-11-31(26)3)27(34)20-33(25-8-5-4-6-9-25)28(35)30-29-15-22-12-23(16-29)14-24(13-22)17-29/h7,10-11,21-25H,4-6,8-9,12-20H2,1-3H3,(H,30,35)