[6-(4-chloranyl-3-methyl-phenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(4-chloranyl-3-methyl-phenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone CAS Name: [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone IUPAC Name: [6-(4-chloro-3-methylphenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4CCC4)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-16-14-19(7-8-20(16)23)28-21-9-6-17(15-24-21)22(27)26-11-3-10-25(12-13-26)18-4-2-5-18/h6-9,14-15,18H,2-5,10-13H2,1H3