1-[(4,5-dicyano-2-heptadecyl-phenyl)amino]-3-(3-phenoxypropyl)urea

Systemtic Name: 1-[(4,5-dicyano-2-heptadecyl-phenyl)amino]-3-(3-phenoxypropyl)urea Openeye Name: 1-(4,5-dicyano-2-heptadecyl-anilino)-3-(3-phenoxypropyl)urea CAS Name: 1-(4,5-dicyano-2-heptadecylanilino)-3-(3-phenoxypropyl)urea IUPAC Name: 1-(4,5-dicyano-2-heptadecylanilino)-3-(3-phenoxypropyl)urea Traditional Name: 1-(4,5-dicyano-2-heptadecyl-anilino)-3-(3-phenoxypropyl)urea Formula: C35H51N5O2 MolecularWeight: 573.81174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)NNC(=O)NCCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)NNC(=O)NCCCOC2=CC=CC=C2

InChI

InChI=1S/C35H51N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-30-26-31(28-36)32(29-37)27-34(30)39-40-35(41)38-24-20-25-42-33-22-18-16-19-23-33/h16,18-19,22-23,26-27,39H,2-15,17,20-21,24-25H2,1H3,(H2,38,40,41)