4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-3-nitro-benzamide Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N5O3/c1-3-26-10-12-27(13-11-26)19-7-9-20(16(2)14-19)25-23(29)17-4-8-21(24-18-5-6-18)22(15-17)28(30)31/h4,7-9,14-15,18,24H,3,5-6,10-13H2,1-2H3,(H,25,29)