N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-2-methyl-5-phenyl-furan-3-carboxamide

Systemtic Name: N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-2-methyl-5-phenyl-furan-3-carboxamide Openeye Name: N-[4-[4-(6-fluorobenzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-2-methyl-5-phenyl-furan-3-carboxamide CAS Name: N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-2-methyl-5-phenyl-3-furancarboxamide IUPAC Name: N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-2-methyl-5-phenylfuran-3-carboxamide Traditional Name: N-[4-[4-(6-fluorobenzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-2-methyl-5-phenyl-3-furamide Formula: C29H32FN3O2S MolecularWeight: 505.646683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NCCCCN3CCCN(CC3)C4=CSC5=C4C=CC(=C5)F

Isomeric SMILES

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)NCCCCN3CCCN(CC3)C4=CSC5=C4C=CC(=C5)F

InChI

InChI=1S/C29H32FN3O2S/c1-21-25(19-27(35-21)22-8-3-2-4-9-22)29(34)31-12-5-6-13-32-14-7-15-33(17-16-32)26-20-36-28-18-23(30)10-11-24(26)28/h2-4,8-11,18-20H,5-7,12-17H2,1H3,(H,31,34)