1-cyclohexyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]urea

Systemtic Name: 1-cyclohexyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]urea Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3-cyclohexyl-urea CAS Name: 1-cyclohexyl-3-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]urea IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3-cyclohexylurea Traditional Name: 1-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3-cyclohexyl-urea Formula: C25H35N5O MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O/c31-25(28-23-11-5-2-6-12-23)27-19-24(22-10-7-13-26-18-22)30-16-14-29(15-17-30)20-21-8-3-1-4-9-21/h1,3-4,7-10,13,18,23-24H,2,5-6,11-12,14-17,19-20H2,(H2,27,28,31)