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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

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