1-(5-cyanopyridin-2-yl)-N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H21N5O3/c1-13-20(27)25-17-10-16(3-4-18(17)29-13)24-21(28)15-6-8-26(9-7-15)19-5-2-14(11-22)12-23-19/h2-5,10,12-13,15H,6-9H2,1H3,(H,24,28)(H,25,27)