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

Systemtic Name: [4-[(5-chloranyl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone Openeye Name: [4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone CAS Name: [4-[(5-chloro-2-benzofuranyl)methyl]-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone IUPAC Name: [4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone Traditional Name: [4-[(5-chlorobenzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-25(2)20-7-4-17(5-8-20)23(28)27-11-3-10-26(12-13-27)16-21-15-18-14-19(24)6-9-22(18)29-21/h4-9,14-15H,3,10-13,16H2,1-2H3