6-[[[3-[[[chloranyl(phenyl)methyl]amino]methyl]phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride

Systemtic Name: 6-[[[3-[[[chloranyl(phenyl)methyl]amino]methyl]phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride Openeye Name: 6-[[[3-[[[chloro(phenyl)methyl]amino]methyl]phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride CAS Name: 6-[[[3-[[[chloro(phenyl)methyl]amino]methyl]phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride IUPAC Name: 6-[[[3-[[[chloro(phenyl)methyl]amino]methyl]phenyl]methylamino]methyl]-2-methyl-2H-1,4-benzoxazin-3-amine trihydrochloride Traditional Name: (3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl-[3-[[[chloro(phenyl)methyl]amino]methyl]benzyl]amine trihydrochloride Formula: C25H30Cl4N4O MolecularWeight: 544.3439

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CNCC3=CC(=CC=C3)CNC(C4=CC=CC=C4)Cl)N.Cl.Cl.Cl

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CNCC3=CC(=CC=C3)CNC(C4=CC=CC=C4)Cl)N.Cl.Cl.Cl

InChI

InChI=1S/C25H27ClN4O.3ClH/c1-17-25(27)30-22-13-20(10-11-23(22)31-17)15-28-14-18-6-5-7-19(12-18)16-29-24(26)21-8-3-2-4-9-21;;;/h2-13,17,24,28-29H,14-16H2,1H3,(H2,27,30);3*1H