2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N)C

InChI

InChI=1S/C23H23FN4O2S/c1-16-12-17(2)19-14-18(15-25)23(26-21(19)13-16)27-8-5-9-28(11-10-27)31(29,30)22-7-4-3-6-20(22)24/h3-4,6-7,12-14H,5,8-11H2,1-2H3