6-[[3-[[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]methyl]phenyl]methyl-methyl-amino]-2-methyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[[3-[[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]methyl]phenyl]methyl-methyl-amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[3-[[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]methyl]phenyl]methyl-methyl-amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[3-[[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]methyl]phenyl]methyl-methylamino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[3-[[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]methyl]phenyl]methyl-methylamino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[3-[[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methylamino]methyl]benzyl]-methyl-amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CNCC3=CC(=CC=C3)CN(C)C4=CC5=C(C=C4)OC(C(=O)N5)C)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CNCC3=CC(=CC=C3)CN(C)C4=CC5=C(C=C4)OC(C(=O)N5)C)N

InChI

InChI=1S/C28H31N5O3/c1-17-27(29)31-23-12-20(7-9-25(23)35-17)15-30-14-19-5-4-6-21(11-19)16-33(3)22-8-10-26-24(13-22)32-28(34)18(2)36-26/h4-13,17-18,30H,14-16H2,1-3H3,(H2,29,31)(H,32,34)