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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazino]phenyl]-4-nitro-benzamide Formula: C31H34N6O5 MolecularWeight: 570.63886

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)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)CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H34N6O5/c38-29(21-23-5-2-1-3-6-23)35-19-17-34(18-20-35)28-12-9-25(31(40)36-15-4-13-32-14-16-36)22-27(28)33-30(39)24-7-10-26(11-8-24)37(41)42/h1-3,5-12,22,32H,4,13-21H2,(H,33,39)