N-[3-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-pyrrolidin-1-yl-phenyl]benzamide

Systemtic Name: N-[3-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-pyrrolidin-1-yl-phenyl]benzamide Openeye Name: N-[3-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-pyrrolidin-1-yl-phenyl]benzamide CAS Name: N-[3-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: N-[3-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-pyrrolidin-1-ylphenyl]benzamide Traditional Name: N-[3-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-pyrrolidino-phenyl]benzamide Formula: C21H21BrN4O MolecularWeight: 425.32164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=CC(=C2)C3=C(C=NN3)CBr)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=CC(=C2)C3=C(C=NN3)CBr)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrN4O/c22-13-17-14-23-25-20(17)16-10-18(12-19(11-16)26-8-4-5-9-26)24-21(27)15-6-2-1-3-7-15/h1-3,6-7,10-12,14H,4-5,8-9,13H2,(H,23,25)(H,24,27)