[3-(3-imidazol-1-ylphenyl)-4-pyrrol-1-yl-phenyl]-(3-oxidanylidenepropanoylamino)carbamic acid

Systemtic Name: [3-(3-imidazol-1-ylphenyl)-4-pyrrol-1-yl-phenyl]-(3-oxidanylidenepropanoylamino)carbamic acid Openeye Name: [3-(3-imidazol-1-ylphenyl)-4-pyrrol-1-yl-phenyl]-(3-oxopropanoylamino)carbamic acid CAS Name: (1,3-dioxopropylamino)-[3-[3-(1-imidazolyl)phenyl]-4-(1-pyrrolyl)phenyl]carbamic acid IUPAC Name: [3-(3-imidazol-1-ylphenyl)-4-pyrrol-1-ylphenyl]-(3-oxopropanoylamino)carbamic acid Traditional Name: [3-(3-imidazol-1-ylphenyl)-4-pyrrol-1-yl-phenyl]-(3-ketopropanoylamino)carbamic acid Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C=C(C=C2)N(C(=O)O)NC(=O)CC=O)C3=CC(=CC=C3)N4C=CN=C4

Isomeric SMILES

C1=CN(C=C1)C2=C(C=C(C=C2)N(C(=O)O)NC(=O)CC=O)C3=CC(=CC=C3)N4C=CN=C4

InChI

InChI=1S/C23H19N5O4/c29-13-8-22(30)25-28(23(31)32)19-6-7-21(26-10-1-2-11-26)20(15-19)17-4-3-5-18(14-17)27-12-9-24-16-27/h1-7,9-16H,8H2,(H,25,30)(H,31,32)