1-[1-[4-(azepan-1-ylcarbonyl)-2-nitro-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-[4-(azepan-1-ylcarbonyl)-2-nitro-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-[4-(azepane-1-carbonyl)-2-nitro-phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-[4-[1-azepanyl(oxo)methyl]-2-nitrophenyl]-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-[4-(azepane-1-carbonyl)-2-nitrophenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-[4-(azepane-1-carbonyl)-2-nitro-phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O5/c31-25(28-13-5-1-2-6-14-28)19-9-10-23(24(17-19)30(33)34)27-15-11-21(12-16-27)29-22-8-4-3-7-20(22)18-35-26(29)32/h3-4,7-10,17,21H,1-2,5-6,11-16,18H2