(2R)-4-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(azocan-1-yl)-2-oxo-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(1-azocanyl)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(azocan-1-yl)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(azocan-1-yl)-2-keto-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N3CCCCCCC3

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)N3CCCCCCC3

InChI

InChI=1S/C21H31N3O3/c1-2-12-22-21(26)19-15-24(17-10-6-7-11-18(17)27-19)16-20(25)23-13-8-4-3-5-9-14-23/h6-7,10-11,19H,2-5,8-9,12-16H2,1H3,(H,22,26)/t19-/m1/s1