1-[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]-N-benzyl-piperidine-4-carboxamide CAS Name: 1-[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]-N-benzylpiperidine-4-carboxamide Traditional Name: 1-[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]-N-benzyl-isonipecotamide Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H41N3O3/c1-19(2)25(31-28(35)29-15-21-12-22(16-29)14-23(13-21)17-29)27(34)32-10-8-24(9-11-32)26(33)30-18-20-6-4-3-5-7-20/h3-7,19,21-25H,8-18H2,1-2H3,(H,30,33)(H,31,35)