1-(4-cyanophenyl)-3-[[4-[(2-methylpropylcarbamoylamino)methyl]cyclohexyl]methyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[[4-[(2-methylpropylcarbamoylamino)methyl]cyclohexyl]methyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[[4-[(isobutylcarbamoylamino)methyl]cyclohexyl]methyl]urea CAS Name: 1-[[4-[[[(4-cyanoanilino)-oxomethyl]amino]methyl]cyclohexyl]methyl]-3-(2-methylpropyl)urea IUPAC Name: 1-(4-cyanophenyl)-3-[[4-[(2-methylpropylcarbamoylamino)methyl]cyclohexyl]methyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[[4-[(isobutylcarbamoylamino)methyl]cyclohexyl]methyl]urea Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NCC1CCC(CC1)CNC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CNC(=O)NCC1CCC(CC1)CNC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H31N5O2/c1-15(2)12-23-20(27)24-13-17-3-5-18(6-4-17)14-25-21(28)26-19-9-7-16(11-22)8-10-19/h7-10,15,17-18H,3-6,12-14H2,1-2H3,(H2,23,24,27)(H2,25,26,28)