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

Systemtic Name: 2-(cyclohexylamino)-4-methyl-1-[4-[3-methylbutyl-(4-phenylmethoxyphenyl)amino]piperidin-1-yl]pentan-1-one Openeye Name: 1-[4-(4-benzyloxy-N-isopentyl-anilino)-1-piperidyl]-2-(cyclohexylamino)-4-methyl-pentan-1-one CAS Name: 2-(cyclohexylamino)-4-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]-1-piperidinyl]-1-pentanone IUPAC Name: 2-(cyclohexylamino)-4-methyl-1-[4-[N-(3-methylbutyl)-4-phenylmethoxyanilino]piperidin-1-yl]pentan-1-one Traditional Name: 1-[4-(4-benzoxy-N-isoamyl-anilino)piperidino]-2-(cyclohexylamino)-4-methyl-pentan-1-one Formula: C35H53N3O2 MolecularWeight: 547.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)C(CC(C)C)NC2CCCCC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)C(CC(C)C)NC2CCCCC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H53N3O2/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/h5,7-8,11-12,15-18,27-28,30,32,34,36H,6,9-10,13-14,19-26H2,1-4H3