1-(4-fluorophenyl)-3-methyl-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-methyl-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-methyl-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C28H32FN5O MolecularWeight: 473.584983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN(CC2=CC=CC=C2)C(C)C)N3C=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN(CC2=CC=CC=C2)C(C)C)N3C=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H32FN5O/c1-21(2)33(20-23-10-5-4-6-11-23)19-9-16-30-27(35)26-22(3)31-34(25-14-12-24(29)13-15-25)28(26)32-17-7-8-18-32/h4-8,10-15,17-18,21H,9,16,19-20H2,1-3H3,(H,30,35)