4-(cyclopropylamino)-3-nitro-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]benzamide Formula: C21H22F3N5O3 MolecularWeight: 449.42629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N5O3/c22-21(23,24)14-2-6-19(25-12-14)28-9-7-16(8-10-28)27-20(30)13-1-5-17(26-15-3-4-15)18(11-13)29(31)32/h1-2,5-6,11-12,15-16,26H,3-4,7-10H2,(H,27,30)