1-butyl-3-[3-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)isoindol-1-yl]urea

Systemtic Name: 1-butyl-3-[3-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)isoindol-1-yl]urea Openeye Name: 1-butyl-3-[3-(1-cyano-2-oxo-2-pyrrolidin-1-yl-ethylidene)isoindol-1-yl]urea CAS Name: 1-butyl-3-[3-[1-cyano-2-oxo-2-(1-pyrrolidinyl)ethylidene]-1-isoindolyl]urea IUPAC Name: 1-butyl-3-[3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]urea Traditional Name: 1-butyl-3-[3-(1-cyano-2-keto-2-pyrrolidino-ethylidene)isoindol-1-yl]urea Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC(=C(C#N)C(=O)N2CCCC2)C3=CC=CC=C31

Isomeric SMILES

CCCCNC(=O)NC1=NC(=C(C#N)C(=O)N2CCCC2)C3=CC=CC=C31

InChI

InChI=1S/C20H23N5O2/c1-2-3-10-22-20(27)24-18-15-9-5-4-8-14(15)17(23-18)16(13-21)19(26)25-11-6-7-12-25/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,22,23,24,27)