N-(4-azanylcyclohexyl)-5-tert-butyl-2-methyl-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-5-tert-butyl-2-methyl-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]pyrazole-3-carboxamide Openeye Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]phenyl]methyl]pyrazole-3-carboxamide CAS Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[[3-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[[3-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]phenyl]methyl]pyrazole-3-carboxamide Traditional Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[3-[4-(4-methylpiperazino)-3-nitro-phenyl]benzyl]pyrazole-3-carboxamide Formula: C33H45N7O3 MolecularWeight: 587.7555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C5CCC(CC5)N)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C5CCC(CC5)N)C

InChI

InChI=1S/C33H45N7O3/c1-33(2,3)31-21-30(37(5)35-31)32(41)39(27-12-10-26(34)11-13-27)22-23-7-6-8-24(19-23)25-9-14-28(29(20-25)40(42)43)38-17-15-36(4)16-18-38/h6-9,14,19-21,26-27H,10-13,15-18,22,34H2,1-5H3