N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C31H31N7O5 MolecularWeight: 581.62174

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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)NC(=O)C5=CC=C(C=C5)[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)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H31N7O5/c32-21-22-2-4-24(5-3-22)30(40)37-18-16-35(17-19-37)28-11-8-25(31(41)36-14-1-12-33-13-15-36)20-27(28)34-29(39)23-6-9-26(10-7-23)38(42)43/h2-11,20,33H,1,12-19H2,(H,34,39)