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

Systemtic Name: [4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]-(4-pyridyl)methanone Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4/c29-21(17-4-7-24-8-5-17)27-14-12-25(13-15-27)19-3-2-18(16-20(19)28(31)32)22(30)26-10-1-6-23-9-11-26/h2-5,7-8,16,23H,1,6,9-15H2