2-methyl-5-[4-[3-methylbutyl-[4-(pyridin-2-ylmethylamino)phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide

Systemtic Name: 2-methyl-5-[4-[3-methylbutyl-[4-(pyridin-2-ylmethylamino)phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide Openeye Name: 5-[4-[N-isopentyl-4-(2-pyridylmethylamino)anilino]-1-piperidyl]-2-methyl-5-oxo-pentanamide CAS Name: 2-methyl-5-[4-[N-(3-methylbutyl)-4-(2-pyridinylmethylamino)anilino]-1-piperidinyl]-5-oxopentanamide IUPAC Name: 2-methyl-5-[4-[N-(3-methylbutyl)-4-(pyridin-2-ylmethylamino)anilino]piperidin-1-yl]-5-oxopentanamide Traditional Name: 5-[4-[N-isoamyl-4-(2-pyridylmethylamino)anilino]piperidino]-5-keto-2-methyl-valeramide Formula: C28H41N5O2 MolecularWeight: 479.65744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)NCC3=CC=CC=N3

InChI

InChI=1S/C28H41N5O2/c1-21(2)13-19-33(25-10-8-23(9-11-25)31-20-24-6-4-5-16-30-24)26-14-17-32(18-15-26)27(34)12-7-22(3)28(29)35/h4-6,8-11,16,21-22,26,31H,7,12-15,17-20H2,1-3H3,(H2,29,35)