N-[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]-4,4-dimethyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]pentanamide

Systemtic Name: N-[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]-4,4-dimethyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]pentanamide Openeye Name: N-[4-cyano-1-(cyclohexylmethyl)-4-piperidyl]-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide CAS Name: N-[4-cyano-1-(cyclohexylmethyl)-4-piperidinyl]-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide IUPAC Name: N-[4-cyano-1-(cyclohexylmethyl)piperidin-4-yl]-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide Traditional Name: N-[4-cyano-1-(cyclohexylmethyl)-4-piperidyl]-2-[(2-keto-1,3-benzoxazin-4-yl)amino]-4,4-dimethyl-valeramide Formula: C28H39N5O3 MolecularWeight: 493.64096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1(CCN(CC1)CC2CCCCC2)C#N)NC3=NC(=O)OC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)CC(C(=O)NC1(CCN(CC1)CC2CCCCC2)C#N)NC3=NC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C28H39N5O3/c1-27(2,3)17-22(30-24-21-11-7-8-12-23(21)36-26(35)31-24)25(34)32-28(19-29)13-15-33(16-14-28)18-20-9-5-4-6-10-20/h7-8,11-12,20,22H,4-6,9-10,13-18H2,1-3H3,(H,32,34)(H,30,31,35)