N-(4-azanylcyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]cyclopropanecarboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]phenyl]methyl]cyclopropanecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]phenyl]methyl]cyclopropanecarboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(4-methylpiperazino)-3-nitro-phenyl]benzyl]cyclopropanecarboxamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C28H37N5O3/c1-30-13-15-31(16-14-30)26-12-7-23(18-27(26)33(35)36)22-4-2-3-20(17-22)19-32(28(34)21-5-6-21)25-10-8-24(29)9-11-25/h2-4,7,12,17-18,21,24-25H,5-6,8-11,13-16,19,29H2,1H3