2-(cyclohexylamino)-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]pentan-1-one

Systemtic Name: 2-(cyclohexylamino)-4-methyl-1-[4-[3-methylbut-2-enyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]pentan-1-one Openeye Name: 1-[4-[4-benzyloxy-N-(3-methylbut-2-enyl)anilino]-1-piperidyl]-2-(cyclohexylamino)-4-methyl-pentan-1-one CAS Name: 2-(cyclohexylamino)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]-1-piperidinyl]-1-pentanone IUPAC Name: 2-(cyclohexylamino)-4-methyl-1-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]pentan-1-one Traditional Name: 1-[4-[4-benzoxy-N-(3-methylbut-2-enyl)anilino]piperidino]-2-(cyclohexylamino)-4-methyl-pentan-1-one Formula: C35H51N3O2 MolecularWeight: 545.79834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC4CCCCC4

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)N(CC=C(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC4CCCCC4

InChI

InChI=1S/C35H51N3O2/c1-27(2)19-24-38(31-15-17-33(18-16-31)40-26-29-11-7-5-8-12-29)32-20-22-37(23-21-32)35(39)34(25-28(3)4)36-30-13-9-6-10-14-30/h5,7-8,11-12,15-19,28,30,32,34,36H,6,9-10,13-14,20-26H2,1-4H3