3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidino-benzamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c28-22(18-8-9-20(21(14-18)27(29)30)25-12-4-5-13-25)23-11-10-17-15-24-26(16-17)19-6-2-1-3-7-19/h1-3,6-9,14-16H,4-5,10-13H2,(H,23,28)