3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[methyl-(4-piperidinobenzyl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H24N4O4/c1-22(14-16-5-7-17(8-6-16)23-11-3-2-4-12-23)15-24-19-13-18(25(27)28)9-10-20(19)29-21(24)26/h5-10,13H,2-4,11-12,14-15H2,1H3