1-(3-cyanophenyl)-3-[2-[[3-(phenylmethyl)piperidin-1-yl]methyl]cyclohexyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[2-[[3-(phenylmethyl)piperidin-1-yl]methyl]cyclohexyl]urea Openeye Name: 1-[2-[(3-benzyl-1-piperidyl)methyl]cyclohexyl]-3-(3-cyanophenyl)urea CAS Name: 1-(3-cyanophenyl)-3-[2-[[3-(phenylmethyl)-1-piperidinyl]methyl]cyclohexyl]urea IUPAC Name: 1-[2-[(3-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-cyanophenyl)urea Traditional Name: 1-[2-[(3-benzylpiperidino)methyl]cyclohexyl]-3-(3-cyanophenyl)urea Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2CCCC(C2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(C(C1)CN2CCCC(C2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H34N4O/c28-18-22-10-6-13-25(17-22)29-27(32)30-26-14-5-4-12-24(26)20-31-15-7-11-23(19-31)16-21-8-2-1-3-9-21/h1-3,6,8-10,13,17,23-24,26H,4-5,7,11-12,14-16,19-20H2,(H2,29,30,32)