1-[6-(4-cyclopentylpiperazin-1-yl)pyridin-3-yl]-3-[(1R,2S)-2-phenylcyclopropyl]urea

Systemtic Name: 1-[6-(4-cyclopentylpiperazin-1-yl)pyridin-3-yl]-3-[(1R,2S)-2-phenylcyclopropyl]urea Openeye Name: 1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea CAS Name: 1-[6-(4-cyclopentyl-1-piperazinyl)-3-pyridinyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea IUPAC Name: 1-[6-(4-cyclopentylpiperazin-1-yl)pyridin-3-yl]-3-[(1R,2S)-2-phenylcyclopropyl]urea Traditional Name: 1-[6-(4-cyclopentylpiperazino)-3-pyridyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CC4C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)N[C@@H]4C[C@H]4C5=CC=CC=C5

InChI

InChI=1S/C24H31N5O/c30-24(27-22-16-21(22)18-6-2-1-3-7-18)26-19-10-11-23(25-17-19)29-14-12-28(13-15-29)20-8-4-5-9-20/h1-3,6-7,10-11,17,20-22H,4-5,8-9,12-16H2,(H2,26,27,30)/t21-,22+/m0/s1