2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-(pyrrolidinomethyl)benzyl]acetamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c35-28(30-19-23-8-4-5-9-24(23)20-32-16-6-7-17-32)18-25-21-33(26-10-2-1-3-11-26)31-29(25)22-12-14-27(15-13-22)34(36)37/h1-5,8-15,21H,6-7,16-20H2,(H,30,35)