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

Systemtic Name: 1-(4-fluorophenyl)-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)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-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)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C27H30FN5O MolecularWeight: 459.558403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CCCNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30FN5O/c1-21(2)32(20-22-9-4-3-5-10-22)18-8-15-29-26(34)25-19-30-33(24-13-11-23(28)12-14-24)27(25)31-16-6-7-17-31/h3-7,9-14,16-17,19,21H,8,15,18,20H2,1-2H3,(H,29,34)