1-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(4-ethanoylphenyl)urea

Systemtic Name: 1-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(4-ethanoylphenyl)urea Openeye Name: 1-(4-acetylphenyl)-3-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]urea CAS Name: 1-(4-acetylphenyl)-3-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]urea IUPAC Name: 1-(4-acetylphenyl)-3-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]urea Traditional Name: 1-(4-acetylphenyl)-3-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]urea Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)NCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)NCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C16H18N6O2/c1-10(23)11-4-6-12(7-5-11)20-16(24)19-8-2-3-14-13(9-17)15(18)22-21-14/h4-7H,2-3,8H2,1H3,(H3,18,21,22)(H2,19,20,24)