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

Systemtic Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(4-ethyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(4-ethylpiperazino)phenyl]-3-nitro-benzamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-2-25-11-13-26(14-12-25)19-8-6-18(7-9-19)24-22(28)16-3-10-20(23-17-4-5-17)21(15-16)27(29)30/h3,6-10,15,17,23H,2,4-5,11-14H2,1H3,(H,24,28)