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

Systemtic Name: [3-nitro-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-piperazin-1-yl-methanone Openeye Name: [3-nitro-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone CAS Name: [3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [3-nitro-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-ylmethanone Traditional Name: [4-(4-nicotinoyl-1,4-diazepan-1-yl)-3-nitro-phenyl]-piperazino-methanone Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4/c29-21(27-11-7-23-8-12-27)17-4-5-19(20(15-17)28(31)32)25-9-2-10-26(14-13-25)22(30)18-3-1-6-24-16-18/h1,3-6,15-16,23H,2,7-14H2