1,4-diazepan-1-yl-[3-nitro-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[3-nitro-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-(4-nicotinoyl-1,4-diazepan-1-yl)-3-nitro-phenyl]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=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O4/c30-22(27-10-2-8-24-9-13-27)18-5-6-20(21(16-18)29(32)33)26-11-3-12-28(15-14-26)23(31)19-4-1-7-25-17-19/h1,4-7,16-17,24H,2-3,8-15H2