[5-[[5-cyano-2-(propylamino)phenyl]amino]-5-oxidanylidene-pentyl] N-tert-butylcarbamate

Systemtic Name: [5-[[5-cyano-2-(propylamino)phenyl]amino]-5-oxidanylidene-pentyl] N-tert-butylcarbamate Openeye Name: [5-[5-cyano-2-(propylamino)anilino]-5-oxo-pentyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [5-[5-cyano-2-(propylamino)anilino]-5-oxopentyl] ester IUPAC Name: [5-[5-cyano-2-(propylamino)anilino]-5-oxopentyl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [5-[5-cyano-2-(propylamino)anilino]-5-keto-pentyl] ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C#N)NC(=O)CCCCOC(=O)NC(C)(C)C

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C#N)NC(=O)CCCCOC(=O)NC(C)(C)C

InChI

InChI=1S/C20H30N4O3/c1-5-11-22-16-10-9-15(14-21)13-17(16)23-18(25)8-6-7-12-27-19(26)24-20(2,3)4/h9-10,13,22H,5-8,11-12H2,1-4H3,(H,23,25)(H,24,26)