4-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]butanamide Openeye Name: 4-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]butanamide CAS Name: 4-(4-nitro-1-pyrazolyl)-N-[[4-(1-pyrrolyl)phenyl]methyl]butanamide IUPAC Name: 4-(4-nitropyrazol-1-yl)-N-[(4-pyrrol-1-ylphenyl)methyl]butanamide Traditional Name: 4-(4-nitropyrazol-1-yl)-N-(4-pyrrol-1-ylbenzyl)butyramide Formula: C18H19N5O3 MolecularWeight: 353.37516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)CNC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)CNC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c24-18(4-3-11-22-14-17(13-20-22)23(25)26)19-12-15-5-7-16(8-6-15)21-9-1-2-10-21/h1-2,5-10,13-14H,3-4,11-12H2,(H,19,24)