1-[2-[5-(3-chloranyl-4-methoxy-phenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-hexyl-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-hexyl-urea Openeye Name: 1-[2-[5-(3-chloro-4-methoxy-phenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-hexyl-urea CAS Name: 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-hexylurea IUPAC Name: 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-hexylurea Traditional Name: 1-[2-[5-(3-chloro-4-methoxy-phenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-hexyl-urea Formula: C28H37ClN6O2 MolecularWeight: 525.08538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCN1C(=NC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)Cl)C4CCCC4

Isomeric SMILES

CCCCCCNC(=O)N(CCN1C(=NC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)Cl)C4CCCC4

InChI

InChI=1S/C28H37ClN6O2/c1-3-4-5-8-15-31-28(36)34(23-9-6-7-10-23)18-19-35-27(22-11-12-25(37-2)24(29)20-22)32-26(33-35)21-13-16-30-17-14-21/h11-14,16-17,20,23H,3-10,15,18-19H2,1-2H3,(H,31,36)