1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[1-(4-cyanobutyl)-4-pyrazolyl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-(2,6-diisopropylphenyl)urea Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CN(N=C2)CCCCC#N

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CN(N=C2)CCCCC#N

InChI

InChI=1S/C21H29N5O/c1-15(2)18-9-8-10-19(16(3)4)20(18)25-21(27)24-17-13-23-26(14-17)12-7-5-6-11-22/h8-10,13-16H,5-7,12H2,1-4H3,(H2,24,25,27)