(2R)-4-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(1-adamantylamino)-2-oxo-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(1-adamantylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(1-adamantylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(1-adamantylamino)-2-keto-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O3/c1-23-21(27)19-12-25(17-4-2-3-5-18(17)28-19)13-20(26)24-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16,19H,6-13H2,1H3,(H,23,27)(H,24,26)/t14?,15?,16?,19-,22?/m1/s1