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

Systemtic Name: 1-[(3E)-2-oxidanylidene-3-[[4-(2-piperidin-1-ylethanoyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea Openeye Name: [(3E)-2-oxo-3-[[4-[2-(1-piperidyl)acetyl]-1H-pyrrol-2-yl]methylene]indolin-5-yl]urea CAS Name: [(3E)-2-oxo-3-[[4-[1-oxo-2-(1-piperidinyl)ethyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea IUPAC Name: [(3E)-2-oxo-3-[[4-(2-piperidin-1-ylacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-5-yl]urea Traditional Name: [(3E)-2-keto-3-[[4-(2-piperidinoacetyl)-1H-pyrrol-2-yl]methylene]indolin-5-yl]urea Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)C2=CNC(=C2)C=C3C4=C(C=CC(=C4)NC(=O)N)NC3=O

Isomeric SMILES

C1CCN(CC1)CC(=O)C2=CNC(=C2)/C=C/3\C4=C(C=CC(=C4)NC(=O)N)NC3=O

InChI

InChI=1S/C21H23N5O3/c22-21(29)24-14-4-5-18-16(9-14)17(20(28)25-18)10-15-8-13(11-23-15)19(27)12-26-6-2-1-3-7-26/h4-5,8-11,23H,1-3,6-7,12H2,(H,25,28)(H3,22,24,29)/b17-10+