(3-chloranyl-4,5-dimethoxy-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(2-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(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3)Cl)OC

InChI

InChI=1S/C19H23ClN2O3S/c1-24-17-12-14(11-16(20)18(17)25-2)19(23)22-7-4-6-21(8-9-22)13-15-5-3-10-26-15/h3,5,10-12H,4,6-9,13H2,1-2H3