N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazino]-3-[(4-nitrobenzoyl)amino]benzamide Formula: C28H34N6O5 MolecularWeight: 534.60676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H34N6O5/c29-21-6-8-22(9-7-21)30-27(36)20-5-12-25(32-13-15-33(16-14-32)28(37)19-1-2-19)24(17-20)31-26(35)18-3-10-23(11-4-18)34(38)39/h3-5,10-12,17,19,21-22H,1-2,6-9,13-16,29H2,(H,30,36)(H,31,35)