N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[3-(cyclopropanecarbonylamino)benzyl]-3-nitro-benzamide Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O5/c1-16(30)27-9-11-28(12-10-27)21-8-7-19(14-22(21)29(33)34)23(31)25-15-17-3-2-4-20(13-17)26-24(32)18-5-6-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3,(H,25,31)(H,26,32)