1-[(E)-(1-azanyl-3a,7a-dicyano-3-oxidanylidene-7-phenyl-6-propyl-6,7-dihydro-4H-isoindol-5-ylidene)amino]urea

Systemtic Name: 1-[(E)-(1-azanyl-3a,7a-dicyano-3-oxidanylidene-7-phenyl-6-propyl-6,7-dihydro-4H-isoindol-5-ylidene)amino]urea Openeye Name: [(E)-(1-amino-3a,7a-dicyano-3-oxo-7-phenyl-6-propyl-6,7-dihydro-4H-isoindol-5-ylidene)amino]urea CAS Name: [(E)-(1-amino-3a,7a-dicyano-3-oxo-7-phenyl-6-propyl-6,7-dihydro-4H-isoindol-5-ylidene)amino]urea IUPAC Name: [(E)-(1-amino-3a,7a-dicyano-3-oxo-7-phenyl-6-propyl-6,7-dihydro-4H-isoindol-5-ylidene)amino]urea Traditional Name: [(E)-(1-amino-3a,7a-dicyano-3-keto-7-phenyl-6-propyl-6,7-dihydro-4H-isoindol-5-ylidene)amino]urea Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C2(C(=NC(=O)C2(CC1=NNC(=O)N)C#N)N)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC\1C(C2(C(=NC(=O)C2(C/C1=N\NC(=O)N)C#N)N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N7O2/c1-2-6-13-14(26-27-18(24)29)9-19(10-21)17(28)25-16(23)20(19,11-22)15(13)12-7-4-3-5-8-12/h3-5,7-8,13,15H,2,6,9H2,1H3,(H2,23,25,28)(H3,24,27,29)/b26-14+