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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[3-azanyl-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[3-amino-4-(4-methylpiperazino)phenyl]benzyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C33H47N7O MolecularWeight: 557.77258

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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)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)C5CCC(CC5)N)C

InChI

InChI=1S/C33H47N7O/c1-33(2,3)31-21-30(38(5)36-31)32(41)40(27-12-10-26(34)11-13-27)22-23-7-6-8-24(19-23)25-9-14-29(28(35)20-25)39-17-15-37(4)16-18-39/h6-9,14,19-21,26-27H,10-13,15-18,22,34-35H2,1-5H3