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

Systemtic Name: 1-(4-methylphenyl)-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C28H33N5O MolecularWeight: 455.59452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN(CC3=CC=CC=C3)C(C)C)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN(CC3=CC=CC=C3)C(C)C)N4C=CC=C4

InChI

InChI=1S/C28H33N5O/c1-22(2)32(21-24-10-5-4-6-11-24)19-9-16-29-27(34)26-20-30-33(25-14-12-23(3)13-15-25)28(26)31-17-7-8-18-31/h4-8,10-15,17-18,20,22H,9,16,19,21H2,1-3H3,(H,29,34)