(E)-N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-[4-(6-fluoranyl-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-[4-(6-fluorobenzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-[4-(6-fluorobenzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenyl-acrylamide Formula: C26H30FN3OS MolecularWeight: 451.599303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CSC3=C2C=CC(=C3)F)CCCCNC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=CSC3=C2C=CC(=C3)F)CCCCNC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30FN3OS/c27-22-10-11-23-24(20-32-25(23)19-22)30-16-6-15-29(17-18-30)14-5-4-13-28-26(31)12-9-21-7-2-1-3-8-21/h1-3,7-12,19-20H,4-6,13-18H2,(H,28,31)/b12-9+