N-(4-azanylcyclohexyl)-N-[[3-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]cyclopropanecarboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]cyclopropanecarboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]phenyl]methyl]cyclopropanecarboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]phenyl]methyl]cyclopropanecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]methyl]cyclopropanecarboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]benzyl]cyclopropanecarboxamide Formula: C32H38N6O3 MolecularWeight: 554.68252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-])C6CCC(CC6)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-])C6CCC(CC6)N

InChI

InChI=1S/C32H38N6O3/c33-27-10-12-28(13-11-27)37(32(39)24-7-8-24)22-23-4-3-5-25(20-23)26-9-14-29(30(21-26)38(40)41)35-16-18-36(19-17-35)31-6-1-2-15-34-31/h1-6,9,14-15,20-21,24,27-28H,7-8,10-13,16-19,22,33H2