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

Systemtic Name: N-(4-azanylcyclohexyl)-5-tert-butyl-2-methyl-N-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[[3-(4-morpholino-3-nitro-phenyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[[3-[4-(4-morpholinyl)-3-nitrophenyl]phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[[3-(4-morpholin-4-yl-3-nitrophenyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: N-(4-aminocyclohexyl)-5-tert-butyl-2-methyl-N-[3-(4-morpholino-3-nitro-phenyl)benzyl]pyrazole-3-carboxamide Formula: C32H42N6O4 MolecularWeight: 574.71368

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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)N4CCOCC4)[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)N4CCOCC4)[N+](=O)[O-])C5CCC(CC5)N)C

InChI

InChI=1S/C32H42N6O4/c1-32(2,3)30-20-29(35(4)34-30)31(39)37(26-11-9-25(33)10-12-26)21-22-6-5-7-23(18-22)24-8-13-27(28(19-24)38(40)41)36-14-16-42-17-15-36/h5-8,13,18-20,25-26H,9-12,14-17,21,33H2,1-4H3