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

Systemtic Name: (2-chloranyl-3,4-dimethoxy-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-3,4-dimethoxy-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-3,4-dimethoxyphenyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-3,4-dimethoxyphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-3,4-dimethoxy-phenyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3)Cl)OC

InChI

InChI=1S/C19H23ClN2O3S/c1-24-16-5-4-15(17(20)18(16)25-2)19(23)22-8-3-7-21(9-10-22)12-14-6-11-26-13-14/h4-6,11,13H,3,7-10,12H2,1-2H3