1-(4-tert-butylphenyl)-3-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]urea Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C(C(=CN2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=C(C(=CN2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H21ClN4O/c1-22(2,3)15-6-10-17(11-7-15)26-21(28)27-20-18(12-24)19(13-25-20)14-4-8-16(23)9-5-14/h4-11,13,25H,1-3H3,(H2,26,27,28)