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

Systemtic Name: (2R)-4-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(3-cyanoanilino)-2-oxo-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(3-cyanoanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(3-cyanoanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(3-cyanoanilino)-2-keto-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N4O3/c1-2-10-23-21(27)19-13-25(17-8-3-4-9-18(17)28-19)14-20(26)24-16-7-5-6-15(11-16)12-22/h3-9,11,19H,2,10,13-14H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1