1-[(5-fluoranyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-fluoranyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-fluoro-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-fluoro-2-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-fluoro-2-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-fluoro-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H23FN2OS MolecularWeight: 334.451423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=CC(=C2)F)OC)N3CCCNCC3

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=CC(=C2)F)OC)N3CCCNCC3

InChI

InChI=1S/C18H23FN2OS/c1-13-10-17(23-12-13)18(21-8-3-6-20-7-9-21)15-11-14(19)4-5-16(15)22-2/h4-5,10-12,18,20H,3,6-9H2,1-2H3