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

Systemtic Name: 4-[[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C25H28N6O4 MolecularWeight: 476.52762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O4/c26-18-19-3-5-20(6-4-19)24(32)30-13-2-12-28(15-16-30)22-8-7-21(17-23(22)31(34)35)25(33)29-11-1-9-27-10-14-29/h3-8,17,27H,1-2,9-16H2