1-(oct-2-ynoylamino)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-(oct-2-ynoylamino)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-(oct-2-ynoylamino)urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(1-oxooct-2-ynylamino)urea IUPAC Name: 1-(oct-2-ynoylamino)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-(oct-2-ynoylamino)urea Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(=O)NNC(=O)NC(C)(C)C1=CC=CC(=C1)C(=C)C

Isomeric SMILES

CCCCCC#CC(=O)NNC(=O)NC(C)(C)C1=CC=CC(=C1)C(=C)C

InChI

InChI=1S/C21H29N3O2/c1-6-7-8-9-10-14-19(25)23-24-20(26)22-21(4,5)18-13-11-12-17(15-18)16(2)3/h11-13,15H,2,6-9H2,1,3-5H3,(H,23,25)(H2,22,24,26)