N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-4-pyrrol-1-yl-benzamide Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3=CC=C(C=C3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3=CC=C(C=C3)N4C=CC=C4)OC

InChI

InChI=1S/C23H21N3O4/c1-28-20-10-7-17(13-22(20)29-2)21-14-18(25-30-21)15-24-23(27)16-5-8-19(9-6-16)26-11-3-4-12-26/h3-14H,15H2,1-2H3,(H,24,27)