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

Systemtic Name: [6-(4-chloranyl-3-methyl-phenoxy)pyridin-3-yl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone CAS Name: [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone IUPAC Name: [6-(4-chloro-3-methylphenoxy)pyridin-3-yl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-3-pyridyl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-15-13-18(6-7-19(15)22)27-20-8-3-16(14-23-20)21(26)25-10-2-9-24(11-12-25)17-4-5-17/h3,6-8,13-14,17H,2,4-5,9-12H2,1H3