5-ethyl-3-oxidanylidene-4-[2,4,6-tri(piperidin-1-yl)phenyl]-1H-pyrazole-2-carboxamide

Systemtic Name: 5-ethyl-3-oxidanylidene-4-[2,4,6-tri(piperidin-1-yl)phenyl]-1H-pyrazole-2-carboxamide Openeye Name: 5-ethyl-3-oxo-4-[2,4,6-tris(1-piperidyl)phenyl]-1H-pyrazole-2-carboxamide CAS Name: 5-ethyl-3-oxo-4-[2,4,6-tris(1-piperidinyl)phenyl]-1H-pyrazole-2-carboxamide IUPAC Name: 5-ethyl-3-oxo-4-[2,4,6-tri(piperidin-1-yl)phenyl]-1H-pyrazole-2-carboxamide Traditional Name: 3-ethyl-5-keto-4-(2,4,6-tripiperidinophenyl)-3-pyrazoline-1-carboxamide Formula: C27H40N6O2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C(=O)N)C2=C(C=C(C=C2N3CCCCC3)N4CCCCC4)N5CCCCC5

Isomeric SMILES

CCC1=C(C(=O)N(N1)C(=O)N)C2=C(C=C(C=C2N3CCCCC3)N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C27H40N6O2/c1-2-21-24(26(34)33(29-21)27(28)35)25-22(31-14-8-4-9-15-31)18-20(30-12-6-3-7-13-30)19-23(25)32-16-10-5-11-17-32/h18-19,29H,2-17H2,1H3,(H2,28,35)