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

Systemtic Name: 6-[[[4-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[[4-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[[4-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[[4-(aminomethyl)phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[[4-(aminomethyl)benzyl]amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)CN

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)CN

InChI

InChI=1S/C18H21N3O2/c1-12-18(22)21-16-8-15(6-7-17(16)23-12)11-20-10-14-4-2-13(9-19)3-5-14/h2-8,12,20H,9-11,19H2,1H3,(H,21,22)