N-(1,3-benzodioxol-5-yl)-4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-2-benzofuranyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H22ClN3O4/c23-16-2-4-19-15(10-16)11-18(30-19)13-25-6-1-7-26(9-8-25)22(27)24-17-3-5-20-21(12-17)29-14-28-20/h2-5,10-12H,1,6-9,13-14H2,(H,24,27)