1-[(3E)-2-oxidanylidene-3-[[4-(2-piperazin-1-ylethanoyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea

Systemtic Name: 1-[(3E)-2-oxidanylidene-3-[[4-(2-piperazin-1-ylethanoyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea Openeye Name: [(3E)-2-oxo-3-[[4-(2-piperazin-1-ylacetyl)-1H-pyrrol-2-yl]methylene]indolin-5-yl]urea CAS Name: [(3E)-2-oxo-3-[[4-[1-oxo-2-(1-piperazinyl)ethyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea IUPAC Name: [(3E)-2-oxo-3-[[4-(2-piperazin-1-ylacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea Traditional Name: [(3E)-2-keto-3-[[4-(2-piperazinoacetyl)-1H-pyrrol-2-yl]methylene]indolin-5-yl]urea Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)C2=CNC(=C2)C=C3C4=C(C=CC(=C4)NC(=O)N)NC3=O

Isomeric SMILES

C1CN(CCN1)CC(=O)C2=CNC(=C2)/C=C/3\C4=C(C=CC(=C4)NC(=O)N)NC3=O

InChI

InChI=1S/C20H22N6O3/c21-20(29)24-13-1-2-17-15(8-13)16(19(28)25-17)9-14-7-12(10-23-14)18(27)11-26-5-3-22-4-6-26/h1-2,7-10,22-23H,3-6,11H2,(H,25,28)(H3,21,24,29)/b16-9+