[3-tert-butyl-8a-oxidanyl-8-[(phenylmethyl)amino]-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone

Systemtic Name: [3-tert-butyl-8a-oxidanyl-8-[(phenylmethyl)amino]-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone Openeye Name: [8-(benzylamino)-3-tert-butyl-8a-hydroxy-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone CAS Name: [3-tert-butyl-8a-hydroxy-8-[(phenylmethyl)amino]-2,3-dihydro-1,4-benzoxazin-5-yl]-phenylmethanone IUPAC Name: [8-(benzylamino)-3-tert-butyl-8a-hydroxy-2,3-dihydro-1,4-benzoxazin-5-yl]-phenylmethanone Traditional Name: [8-(benzylamino)-3-tert-butyl-8a-hydroxy-2,3-dihydro-1,4-benzoxazin-5-yl]-phenyl-methanone Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC2(C(=CC=C(C2=N1)C(=O)C3=CC=CC=C3)NCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1COC2(C(=CC=C(C2=N1)C(=O)C3=CC=CC=C3)NCC4=CC=CC=C4)O

InChI

InChI=1S/C26H28N2O3/c1-25(2,3)22-17-31-26(30)21(27-16-18-10-6-4-7-11-18)15-14-20(24(26)28-22)23(29)19-12-8-5-9-13-19/h4-15,22,27,30H,16-17H2,1-3H3