3-(oct-2-ynoylamino)-1,1-diphenyl-urea

Systemtic Name: 3-(oct-2-ynoylamino)-1,1-diphenyl-urea Openeye Name: 3-(oct-2-ynoylamino)-1,1-diphenyl-urea CAS Name: 3-(1-oxooct-2-ynylamino)-1,1-diphenylurea IUPAC Name: 3-(oct-2-ynoylamino)-1,1-diphenylurea Traditional Name: 3-(oct-2-ynoylamino)-1,1-diphenyl-urea Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(=O)NNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC#CC(=O)NNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2/c1-2-3-4-5-12-17-20(25)22-23-21(26)24(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-16H,2-5H2,1H3,(H,22,25)(H,23,26)