4-[3-(azepan-1-yl)propylamino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[3-(azepan-1-yl)propylamino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[3-(azepan-1-yl)propylamino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[3-(1-azepanyl)propylamino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[3-(azepan-1-yl)propylamino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[3-(azepan-1-yl)propylamino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C23H27F3N4O3 MolecularWeight: 464.48069

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H27F3N4O3/c24-23(25,26)18-7-9-19(10-8-18)28-22(31)17-6-11-20(21(16-17)30(32)33)27-12-5-15-29-13-3-1-2-4-14-29/h6-11,16,27H,1-5,12-15H2,(H,28,31)