3-(7-fluoranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-phenethyl-propan-1-amine

Systemtic Name: 3-(7-fluoranyl-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-phenethyl-propan-1-amine Openeye Name: 3-(7-fluoro-1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-phenethyl-propan-1-amine CAS Name: 3-(7-fluoro-1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-phenethyl-1-propanamine IUPAC Name: 3-(7-fluoro-1,2-dimethyl-5-oxophenothiazin-10-yl)-N-phenethylpropan-1-amine Traditional Name: 3-(7-fluoro-5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-phenethyl-amine Formula: C25H27FN2OS MolecularWeight: 422.558083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCCC4=CC=CC=C4)C=CC(=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCCC4=CC=CC=C4)C=CC(=C3)F)C

InChI

InChI=1S/C25H27FN2OS/c1-18-9-12-23-25(19(18)2)28(22-11-10-21(26)17-24(22)30(23)29)16-6-14-27-15-13-20-7-4-3-5-8-20/h3-5,7-12,17,27H,6,13-16H2,1-2H3