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

Systemtic Name: 1-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c31-24(18-20-6-2-1-3-7-20)28-14-5-13-27(16-17-28)22-9-8-21(19-23(22)30(33)34)25(32)29-12-4-10-26-11-15-29/h1-3,6-9,19,26H,4-5,10-18H2