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

Systemtic Name: N-[5-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[5-[3-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(4-morpholinyl)phenyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C36H48N6O3 MolecularWeight: 612.80472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)N6CCOCC6)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)N6CCOCC6)C

InChI

InChI=1S/C36H48N6O3/c1-36(2,3)33-22-32(40(4)39-33)34(43)38-30-21-27(10-15-31(30)41-16-18-45-19-17-41)26-7-5-6-24(20-26)23-42(35(44)25-8-9-25)29-13-11-28(37)12-14-29/h5-7,10,15,20-22,25,28-29H,8-9,11-14,16-19,23,37H2,1-4H3,(H,38,43)