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

Systemtic Name: [6-(4-chloranyl-3-methyl-phenoxy)pyridin-3-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]-(4-isopropyl-1,4-diazepan-1-yl)methanone CAS Name: [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone IUPAC Name: [6-(4-chloro-3-methylphenoxy)pyridin-3-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-3-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=NC=C(C=C2)C(=O)N3CCCN(CC3)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-15(2)24-9-4-10-25(12-11-24)21(26)17-5-8-20(23-14-17)27-18-6-7-19(22)16(3)13-18/h5-8,13-15H,4,9-12H2,1-3H3