N-[3-[4-[(5-oxidanyl-2-adamantyl)amino]piperidin-1-yl]phenyl]-4-phenyl-butanamide

Systemtic Name: N-[3-[4-[(5-oxidanyl-2-adamantyl)amino]piperidin-1-yl]phenyl]-4-phenyl-butanamide Openeye Name: N-[3-[4-[(5-hydroxy-2-adamantyl)amino]-1-piperidyl]phenyl]-4-phenyl-butanamide CAS Name: N-[3-[4-[(5-hydroxy-2-adamantyl)amino]-1-piperidinyl]phenyl]-4-phenylbutanamide IUPAC Name: N-[3-[4-[(5-hydroxy-2-adamantyl)amino]piperidin-1-yl]phenyl]-4-phenylbutanamide Traditional Name: N-[3-[4-[(5-hydroxy-2-adamantyl)amino]piperidino]phenyl]-4-phenyl-butyramide Formula: C31H41N3O2 MolecularWeight: 487.67614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2C3CC4CC2CC(C4)(C3)O)C5=CC(=CC=C5)NC(=O)CCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1NC2C3CC4CC2CC(C4)(C3)O)C5=CC(=CC=C5)NC(=O)CCCC6=CC=CC=C6

InChI

InChI=1S/C31H41N3O2/c35-29(11-4-8-22-6-2-1-3-7-22)32-27-9-5-10-28(18-27)34-14-12-26(13-15-34)33-30-24-16-23-17-25(30)21-31(36,19-23)20-24/h1-3,5-7,9-10,18,23-26,30,33,36H,4,8,11-17,19-21H2,(H,32,35)