1-[(5-cyano-3-heptadecyl-pyridin-2-yl)amino]-3-(3-phenoxypropyl)urea

Systemtic Name: 1-[(5-cyano-3-heptadecyl-pyridin-2-yl)amino]-3-(3-phenoxypropyl)urea Openeye Name: 1-[(5-cyano-3-heptadecyl-2-pyridyl)amino]-3-(3-phenoxypropyl)urea CAS Name: 1-[(5-cyano-3-heptadecyl-2-pyridinyl)amino]-3-(3-phenoxypropyl)urea IUPAC Name: 1-[(5-cyano-3-heptadecylpyridin-2-yl)amino]-3-(3-phenoxypropyl)urea Traditional Name: 1-[(5-cyano-3-heptadecyl-2-pyridyl)amino]-3-(3-phenoxypropyl)urea Formula: C33H51N5O2 MolecularWeight: 549.79034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-30-26-29(27-34)28-36-32(30)37-38-33(39)35-24-20-25-40-31-22-18-16-19-23-31/h16,18-19,22-23,26,28H,2-15,17,20-21,24-25H2,1H3,(H,36,37)(H2,35,38,39)