2-azanyl-3-methyl-1-[4-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]pentan-1-one

Systemtic Name: 2-azanyl-3-methyl-1-[4-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]pentan-1-one Openeye Name: 2-amino-1-[4-(4-benzyloxy-N-isopentyl-anilino)-1-piperidyl]-3-methyl-pentan-1-one CAS Name: 2-amino-3-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]-1-piperidinyl]-1-pentanone IUPAC Name: 2-amino-3-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]piperidin-1-yl]pentan-1-one Traditional Name: 2-amino-1-[4-(4-benzoxy-N-isoamyl-anilino)piperidino]-3-methyl-pentan-1-one Formula: C29H43N3O2 MolecularWeight: 465.67062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(CC1)N(CCC(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCC(CC1)N(CCC(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H43N3O2/c1-5-23(4)28(30)29(33)31-18-16-26(17-19-31)32(20-15-22(2)3)25-11-13-27(14-12-25)34-21-24-9-7-6-8-10-24/h6-14,22-23,26,28H,5,15-21,30H2,1-4H3