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

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Formula: C22H21FN4O2S MolecularWeight: 424.491143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C22H21FN4O2S/c1-16-7-8-17-14-18(15-24)22(25-20(17)13-16)26-9-4-10-27(12-11-26)30(28,29)21-6-3-2-5-19(21)23/h2-3,5-8,13-14H,4,9-12H2,1H3