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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1CCCN(C1)C(=O)C(CC(C)C)N)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H43N3O2/c1-22(2)16-18-32(26-11-8-17-31(20-26)29(33)28(30)19-23(3)4)25-12-14-27(15-13-25)34-21-24-9-6-5-7-10-24/h5-7,9-10,12-15,22-23,26,28H,8,11,16-21,30H2,1-4H3