N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(3-chlorophenyl)methyl]-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3-chlorobenzyl)pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O3/c22-17-5-3-4-15(12-17)14-26-20(8-9-23-26)24-21(28)16-6-7-18(19(13-16)27(29)30)25-10-1-2-11-25/h3-9,12-13H,1-2,10-11,14H2,(H,24,28)