1-tert-butyl-3-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]urea

Systemtic Name: 1-tert-butyl-3-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]urea Openeye Name: 1-tert-butyl-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]urea CAS Name: 1-tert-butyl-3-[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylphenyl]urea IUPAC Name: 1-tert-butyl-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]urea Traditional Name: 1-tert-butyl-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]urea Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NC(C)(C)C

InChI

InChI=1S/C25H30N4O2/c1-17-5-8-21(15-22(17)27-24(31)28-25(2,3)4)23(30)29-13-11-20(12-14-29)19-9-6-18(16-26)7-10-19/h5-10,15,20H,11-14H2,1-4H3,(H2,27,28,31)