[6-(4-chloranyl-3-methyl-phenoxy)pyridin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(4-chloranyl-3-methyl-phenoxy)pyridin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(4-chloro-3-methyl-phenoxy)-2-pyridyl]-(4-isopropyl-1,4-diazepan-1-yl)methanone CAS Name: [6-(4-chloro-3-methylphenoxy)-2-pyridinyl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone IUPAC Name: [6-(4-chloro-3-methylphenoxy)pyridin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-2-pyridyl]-(4-isopropyl-1,4-diazepan-1-yl)methanone Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=CC(=N2)C(=O)N3CCCN(CC3)C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=CC(=N2)C(=O)N3CCCN(CC3)C(C)C)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-15(2)24-10-5-11-25(13-12-24)21(26)19-6-4-7-20(23-19)27-17-8-9-18(22)16(3)14-17/h4,6-9,14-15H,5,10-13H2,1-3H3