N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4

InChI

InChI=1S/C22H24ClN3O3/c1-15-22(28)26(19-6-2-3-7-20(19)29-15)13-10-21(27)24-17-14-16(23)8-9-18(17)25-11-4-5-12-25/h2-3,6-9,14-15H,4-5,10-13H2,1H3,(H,24,27)