2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Formula: C23H23FN4O2S MolecularWeight: 438.517723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N)C

InChI

InChI=1S/C23H23FN4O2S/c1-16-4-5-18-14-19(15-25)23(26-22(18)17(16)2)27-10-3-11-28(13-12-27)31(29,30)21-8-6-20(24)7-9-21/h4-9,14H,3,10-13H2,1-2H3