6-[[[3-(aminomethyl)cyclohexyl]-methyl-amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[[[3-(aminomethyl)cyclohexyl]-methyl-amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[[3-(aminomethyl)cyclohexyl]-methyl-amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[[3-(aminomethyl)cyclohexyl]-methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[[3-(aminomethyl)cyclohexyl]-methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[[3-(aminomethyl)cyclohexyl]-methyl-amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)CN(C)C3CCCC(C3)CN

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)CN(C)C3CCCC(C3)CN

InChI

InChI=1S/C18H27N3O2/c1-12-18(22)20-16-9-14(6-7-17(16)23-12)11-21(2)15-5-3-4-13(8-15)10-19/h6-7,9,12-13,15H,3-5,8,10-11,19H2,1-2H3,(H,20,22)