6-methyl-4-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-methyl-4-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-methyl-4-[[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[[3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-methyl-4-[[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-methyl-4-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5/c1-19-5-10-25-24(15-19)30(26(32)18-36-25)17-20-3-2-4-21(16-20)27(33)29-13-11-28(12-14-29)22-6-8-23(9-7-22)31(34)35/h2-10,15-16H,11-14,17-18H2,1H3