1-[2-[5-(3-chloranyl-4-methoxy-phenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-phenyl-urea

Systemtic Name: 1-[2-[5-(3-chloranyl-4-methoxy-phenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-phenyl-urea Openeye Name: 1-[2-[5-(3-chloro-4-methoxy-phenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-phenyl-urea CAS Name: 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-phenylurea IUPAC Name: 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-phenylurea Traditional Name: 1-[2-[5-(3-chloro-4-methoxy-phenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-phenyl-urea Formula: C28H29ClN6O2 MolecularWeight: 517.02186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2CCN(C3CCCC3)C(=O)NC4=CC=CC=C4)C5=CC=NC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2CCN(C3CCCC3)C(=O)NC4=CC=CC=C4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C28H29ClN6O2/c1-37-25-12-11-21(19-24(25)29)27-32-26(20-13-15-30-16-14-20)33-35(27)18-17-34(23-9-5-6-10-23)28(36)31-22-7-3-2-4-8-22/h2-4,7-8,11-16,19,23H,5-6,9-10,17-18H2,1H3,(H,31,36)