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

Systemtic Name: 4-[[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 4-[[4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 4-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O4/c25-17-18-2-4-19(5-3-18)23(31)28-11-1-10-27(14-15-28)21-7-6-20(16-22(21)30(33)34)24(32)29-12-8-26-9-13-29/h2-7,16,26H,1,8-15H2