methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-[(4-nitrophenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-[(4-nitrophenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-[(4-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-[(4-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-[(4-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C25H30N6O6 MolecularWeight: 510.5423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O6/c1-37-25(34)30-15-13-28(14-16-30)22-8-5-19(24(33)29-11-2-9-26-10-12-29)17-21(22)27-23(32)18-3-6-20(7-4-18)31(35)36/h3-8,17,26H,2,9-16H2,1H3,(H,27,32)