4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]benzamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]benzamide Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholinomethyl)phenyl]benzamide CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-N-[3-(4-morpholinylmethyl)phenyl]benzamide IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]benzamide Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-N-[3-(morpholinomethyl)phenyl]benzamide Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22ClN5O4/c23-20-15-27(25-21(20)28(30)31)14-16-4-6-18(7-5-16)22(29)24-19-3-1-2-17(12-19)13-26-8-10-32-11-9-26/h1-7,12,15H,8-11,13-14H2,(H,24,29)