1-[[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]methyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]methyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridyl]methyl]urea CAS Name: 1-[[2-(4-cyclopentyl-1-piperazinyl)-4-pyridinyl]methyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[[2-(4-cyclopentylpiperazin-1-yl)pyridin-4-yl]methyl]urea Traditional Name: 1-benzyl-3-[[2-(4-cyclopentylpiperazino)-4-pyridyl]methyl]urea Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=NC=CC(=C3)CNC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=NC=CC(=C3)CNC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c29-23(25-17-19-6-2-1-3-7-19)26-18-20-10-11-24-22(16-20)28-14-12-27(13-15-28)21-8-4-5-9-21/h1-3,6-7,10-11,16,21H,4-5,8-9,12-15,17-18H2,(H2,25,26,29)