3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-(3-cyanophenyl)-1-cyclohexyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H30N4O MolecularWeight: 426.5533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)NC4=CC=CC(=C4)C#N

InChI

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