1-(3-cyanophenyl)-3-[2-[[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]methyl]cyclohexyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[2-[[3-oxidanylidene-5-(phenylmethyl)piperazin-1-yl]methyl]cyclohexyl]urea Openeye Name: 1-[2-[(3-benzyl-5-oxo-piperazin-1-yl)methyl]cyclohexyl]-3-(3-cyanophenyl)urea CAS Name: 1-(3-cyanophenyl)-3-[2-[[3-oxo-5-(phenylmethyl)-1-piperazinyl]methyl]cyclohexyl]urea IUPAC Name: 1-[2-[(3-benzyl-5-oxopiperazin-1-yl)methyl]cyclohexyl]-3-(3-cyanophenyl)urea Traditional Name: 1-[2-[(3-benzyl-5-keto-piperazino)methyl]cyclohexyl]-3-(3-cyanophenyl)urea Formula: C26H31N5O2 MolecularWeight: 445.55664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2CC(NC(=O)C2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(C(C1)CN2CC(NC(=O)C2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H31N5O2/c27-15-20-9-6-11-22(14-20)29-26(33)30-24-12-5-4-10-21(24)16-31-17-23(28-25(32)18-31)13-19-7-2-1-3-8-19/h1-3,6-9,11,14,21,23-24H,4-5,10,12-13,16-18H2,(H,28,32)(H2,29,30,33)