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

Systemtic Name: [4-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-3-nitro-phenyl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-3-nitro-phenyl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperazin-1-yl]-3-nitrophenyl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazino]-3-nitro-phenyl]-(1,4-diazepan-1-yl)methanone Formula: C25H35N7O4 MolecularWeight: 497.5899

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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)[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)[N+](=O)[O-])C

InChI

InChI=1S/C25H35N7O4/c1-25(2,3)22-17-21(28(4)27-22)24(34)31-14-12-29(13-15-31)19-7-6-18(16-20(19)32(35)36)23(33)30-10-5-8-26-9-11-30/h6-7,16-17,26H,5,8-15H2,1-4H3