1-(4-butan-2-ylphenyl)-3-[2-(4-chloranylpyrazol-1-yl)ethyl]urea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[2-(4-chloranylpyrazol-1-yl)ethyl]urea Openeye Name: 1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(4-sec-butylphenyl)urea CAS Name: 1-(4-butan-2-ylphenyl)-3-[2-(4-chloro-1-pyrazolyl)ethyl]urea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]urea Traditional Name: 1-[2-(4-chloropyrazol-1-yl)ethyl]-3-(4-sec-butylphenyl)urea Formula: C16H21ClN4O MolecularWeight: 320.81714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)NCCN2C=C(C=N2)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)NCCN2C=C(C=N2)Cl

InChI

InChI=1S/C16H21ClN4O/c1-3-12(2)13-4-6-15(7-5-13)20-16(22)18-8-9-21-11-14(17)10-19-21/h4-7,10-12H,3,8-9H2,1-2H3,(H2,18,20,22)