1-(2-tert-butyl-5-cyano-phenyl)-3-[3-[[methyl-(phenylmethyl)amino]methyl]phenyl]urea

Systemtic Name: 1-(2-tert-butyl-5-cyano-phenyl)-3-[3-[[methyl-(phenylmethyl)amino]methyl]phenyl]urea Openeye Name: 1-[3-[[benzyl(methyl)amino]methyl]phenyl]-3-(2-tert-butyl-5-cyano-phenyl)urea CAS Name: 1-(2-tert-butyl-5-cyanophenyl)-3-[3-[[methyl-(phenylmethyl)amino]methyl]phenyl]urea IUPAC Name: 1-[3-[[benzyl(methyl)amino]methyl]phenyl]-3-(2-tert-butyl-5-cyanophenyl)urea Traditional Name: 1-[3-[[benzyl(methyl)amino]methyl]phenyl]-3-(2-tert-butyl-5-cyano-phenyl)urea Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C#N)NC(=O)NC2=CC=CC(=C2)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C#N)NC(=O)NC2=CC=CC(=C2)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H30N4O/c1-27(2,3)24-14-13-21(17-28)16-25(24)30-26(32)29-23-12-8-11-22(15-23)19-31(4)18-20-9-6-5-7-10-20/h5-16H,18-19H2,1-4H3,(H2,29,30,32)