[4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(5-chloro-2-benzofuranyl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone IUPAC Name: [4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H20ClN3O2/c21-17-2-3-19-16(12-17)13-18(26-19)14-23-8-1-9-24(11-10-23)20(25)15-4-6-22-7-5-15/h2-7,12-13H,1,8-11,14H2