2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-6,7-dimethyl-quinoline-3-carbonitrile Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C#N)C

InChI

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