[3,3-dimethyl-8-(3-methylbutylamino)-8a-oxidanyl-2H-1,4-benzoxazin-5-yl]-phenyl-methanone

Systemtic Name: [3,3-dimethyl-8-(3-methylbutylamino)-8a-oxidanyl-2H-1,4-benzoxazin-5-yl]-phenyl-methanone Openeye Name: [8a-hydroxy-8-(isopentylamino)-3,3-dimethyl-2H-1,4-benzoxazin-5-yl]-phenyl-methanone CAS Name: [8a-hydroxy-3,3-dimethyl-8-(3-methylbutylamino)-2H-1,4-benzoxazin-5-yl]-phenylmethanone IUPAC Name: [8a-hydroxy-3,3-dimethyl-8-(3-methylbutylamino)-2H-1,4-benzoxazin-5-yl]-phenylmethanone Traditional Name: [8a-hydroxy-8-(isoamylamino)-3,3-dimethyl-2H-1,4-benzoxazin-5-yl]-phenyl-methanone Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC=C(C2=NC(COC12O)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC1=CC=C(C2=NC(COC12O)(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-15(2)12-13-23-18-11-10-17(19(25)16-8-6-5-7-9-16)20-22(18,26)27-14-21(3,4)24-20/h5-11,15,23,26H,12-14H2,1-4H3