N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperidin-1-yl]-3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(isopropylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[oxo-(propan-2-ylamino)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(isopropylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H43N3O2 MolecularWeight: 513.71342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC(CC5)CC6=CC=CC=C6

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C33H43N3O2/c1-22(2)34-31(37)29-18-28(35-32(38)33-19-25-15-26(20-33)17-27(16-25)21-33)8-9-30(29)36-12-10-24(11-13-36)14-23-6-4-3-5-7-23/h3-9,18,22,24-27H,10-17,19-21H2,1-2H3,(H,34,37)(H,35,38)