4-(cyclopropylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[2-(4-phenylpiperazino)ethyl]benzamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c28-22(17-6-9-20(24-18-7-8-18)21(16-17)27(29)30)23-10-11-25-12-14-26(15-13-25)19-4-2-1-3-5-19/h1-6,9,16,18,24H,7-8,10-15H2,(H,23,28)