3-butyl-9-chloranyl-7,8-dimethoxy-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-butyl-9-chloranyl-7,8-dimethoxy-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-butyl-9-chloro-7,8-dimethoxy-5-(2-thienyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-butyl-9-chloro-7,8-dimethoxy-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-butyl-9-chloro-7,8-dimethoxy-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-butyl-9-chloro-7,8-dimethoxy-5-(2-thienyl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C20H26ClNO2S MolecularWeight: 379.94394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CS3)OC)OC)Cl

Isomeric SMILES

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CS3)OC)OC)Cl

InChI

InChI=1S/C20H26ClNO2S/c1-4-5-9-22-10-8-14-15(16(13-22)18-7-6-11-25-18)12-17(23-2)20(24-3)19(14)21/h6-7,11-12,16H,4-5,8-10,13H2,1-3H3