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

Systemtic Name: 3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidino-benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(22-13-16-14-23-25(15-16)18-6-2-1-3-7-18)17-8-9-19(20(12-17)26(28)29)24-10-4-5-11-24/h1-3,6-9,12,14-15H,4-5,10-11,13H2,(H,22,27)