(2-chloranyl-3,4-dimethoxy-phenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-3,4-dimethoxy-phenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-3,4-dimethoxy-phenyl)-[4-(2-furylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-3,4-dimethoxyphenyl)-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-3,4-dimethoxyphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-3,4-dimethoxy-phenyl)-[4-(2-furfuryl)-1,4-diazepan-1-yl]methanone Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3)Cl)OC

InChI

InChI=1S/C19H23ClN2O4/c1-24-16-7-6-15(17(20)18(16)25-2)19(23)22-9-4-8-21(10-11-22)13-14-5-3-12-26-14/h3,5-7,12H,4,8-11,13H2,1-2H3