1-[1-[4-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)carbonyl]-2-nitro-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-[4-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)carbonyl]-2-nitro-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)-2-nitro-phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-[4-[(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-oxomethyl]-2-nitrophenyl]-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)-2-nitrophenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-[4-(2,5-dimethyl-3-pyrroline-1-carbonyl)-2-nitro-phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(N1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-])C

Isomeric SMILES

CC1C=CC(N1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-])C

InChI

InChI=1S/C26H28N4O5/c1-17-7-8-18(2)28(17)25(31)19-9-10-23(24(15-19)30(33)34)27-13-11-21(12-14-27)29-22-6-4-3-5-20(22)16-35-26(29)32/h3-10,15,17-18,21H,11-14,16H2,1-2H3