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

Systemtic Name: 1-[(3E)-3-[[4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indol-5-yl]urea Openeye Name: [(3E)-3-[[4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-2-oxo-indolin-5-yl]urea CAS Name: [(3E)-3-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea IUPAC Name: [(3E)-3-[[4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]urea Traditional Name: [(3E)-2-keto-3-[[4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]indolin-5-yl]urea Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CNC(=C2)C=C3C4=C(C=CC(=C4)NC(=O)N)NC3=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CNC(=C2)/C=C/3\C4=C(C=CC(=C4)NC(=O)N)NC3=O

InChI

InChI=1S/C20H22N6O3/c1-25-4-6-26(7-5-25)19(28)12-8-14(22-11-12)10-16-15-9-13(23-20(21)29)2-3-17(15)24-18(16)27/h2-3,8-11,22H,4-7H2,1H3,(H,24,27)(H3,21,23,29)/b16-10+