1-[1-[2-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-[2-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-[2-nitro-4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-[2-nitro-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-[2-nitro-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-[2-nitro-4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C29H30N6O5 MolecularWeight: 542.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C6=CC=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C29H30N6O5/c36-28(33-17-15-32(16-18-33)27-7-3-4-12-30-27)21-8-9-25(26(19-21)35(38)39)31-13-10-23(11-14-31)34-24-6-2-1-5-22(24)20-40-29(34)37/h1-9,12,19,23H,10-11,13-18,20H2