1-methyl-3,7-bis[2-(3-nitrophenyl)ethanoyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Systemtic Name: 1-methyl-3,7-bis[2-(3-nitrophenyl)ethanoyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 1-methyl-3,7-bis[2-(3-nitrophenyl)acetyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 1-methyl-3,7-bis[2-(3-nitrophenyl)-1-oxoethyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 1-methyl-3,7-bis[2-(3-nitrophenyl)acetyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 1-methyl-3,7-bis[2-(3-nitrophenyl)acetyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C27H30N4O7 MolecularWeight: 522.5497

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CN(CC(C1=O)(CN(C2)C(=O)CC3=CC(=CC=C3)[N+](=O)[O-])C)C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC12CN(CC(C1=O)(CN(C2)C(=O)CC3=CC(=CC=C3)[N+](=O)[O-])C)C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O7/c1-3-10-27-17-28(23(32)13-19-6-4-8-21(11-19)30(35)36)15-26(2,25(27)34)16-29(18-27)24(33)14-20-7-5-9-22(12-20)31(37)38/h4-9,11-12H,3,10,13-18H2,1-2H3