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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-(3-chloro-2-methyl-phenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-2-methyl-phenyl)-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H22ClN3O3/c1-13-16(22)3-2-4-18(13)25-9-7-14(8-10-25)21(27)23-15-5-6-19-17(11-15)24-20(26)12-28-19/h2-6,11,14H,7-10,12H2,1H3,(H,23,27)(H,24,26)