(3S)-1-(4-chlorophenyl)carbonyl-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]nipecotamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-13-20(27)25-18-11-17(8-9-19(18)30-13)24-21(28)15-3-2-10-26(12-15)22(29)14-4-6-16(23)7-5-14/h4-9,11,13,15H,2-3,10,12H2,1H3,(H,24,28)(H,25,27)/t13-,15+/m1/s1