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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

InChI

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