1-[(2-nitrophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(2-nitrophenoxy)methyl]-N-[1-[3-(1-pyrrolyl)phenyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4/c1-17(18-7-6-8-19(15-18)26-12-4-5-13-26)24-23(29)20-11-14-27(25-20)16-32-22-10-3-2-9-21(22)28(30)31/h2-15,17H,16H2,1H3,(H,24,29)