N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-nitro-benzamide Formula: C32H40N8O5 MolecularWeight: 616.7106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C32H40N8O5/c1-32(2,3)28-21-27(36(4)35-28)31(43)39-18-16-37(17-19-39)26-11-8-23(30(42)38-14-5-12-33-13-15-38)20-25(26)34-29(41)22-6-9-24(10-7-22)40(44)45/h6-11,20-21,33H,5,12-19H2,1-4H3,(H,34,41)