[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone CAS Name: [4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone IUPAC Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4/c30-22(18-5-8-25-9-6-18)28-13-2-12-26(15-16-28)20-4-3-19(17-21(20)29(32)33)23(31)27-11-1-7-24-10-14-27/h3-6,8-9,17,24H,1-2,7,10-16H2