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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitro-phenyl]phenyl]methyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(1-azepanyl)-3-nitrophenyl]phenyl]methyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-nitrophenyl]phenyl]methyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(azepan-1-yl)-3-nitro-phenyl]benzyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C34H46N6O3 MolecularWeight: 586.76744

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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)N4CCCCCC4)[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)N4CCCCCC4)[N+](=O)[O-])C5CCC(CC5)N)C

InChI

InChI=1S/C34H46N6O3/c1-34(2,3)32-22-31(37(4)36-32)33(41)39(28-15-13-27(35)14-16-28)23-24-10-9-11-25(20-24)26-12-17-29(30(21-26)40(42)43)38-18-7-5-6-8-19-38/h9-12,17,20-22,27-28H,5-8,13-16,18-19,23,35H2,1-4H3