N-(2-dimethylaminoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(phenylmethyl)butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-4-[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]butanamide Traditional Name: 4-(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)-N-benzyl-N-(2-dimethylaminoethyl)butyramide Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C28H39N3O3/c1-6-28(2,3)23-14-15-25-24(19-23)31(27(33)21-34-25)16-10-13-26(32)30(18-17-29(4)5)20-22-11-8-7-9-12-22/h7-9,11-12,14-15,19H,6,10,13,16-18,20-21H2,1-5H3