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

Systemtic Name: 1-phenyl-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O/c1-22(2)31(21-23-12-5-3-6-13-23)19-11-16-28-26(33)25-20-29-32(24-14-7-4-8-15-24)27(25)30-17-9-10-18-30/h3-10,12-15,17-18,20,22H,11,16,19,21H2,1-2H3,(H,28,33)