N-[4-(azetidin-1-yl)-4-(phenylmethyl)cyclohexyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(azetidin-1-yl)-4-(phenylmethyl)cyclohexyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-[4-(azetidin-1-yl)-4-benzyl-cyclohexyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-azetidinyl)-4-(phenylmethyl)cyclohexyl]-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(azetidin-1-yl)-4-benzylcyclohexyl]-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-[4-(azetidin-1-yl)-4-benzyl-cyclohexyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CCC(CC3)(CC4=CC=CC=C4)N5CCC5

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CCC(CC3)(CC4=CC=CC=C4)N5CCC5

InChI

InChI=1S/C29H36N4O/c1-2-10-27-26(22-30-33(27)25-13-7-4-8-14-25)28(34)31-24-15-17-29(18-16-24,32-19-9-20-32)21-23-11-5-3-6-12-23/h3-8,11-14,22,24H,2,9-10,15-21H2,1H3,(H,31,34)