2-[4-[2,4-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-[2,4-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(2,4-difluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-8-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-8-methyl-quinoline-3-carbonitrile Formula: C23H20F2N4O MolecularWeight: 406.427906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H20F2N4O/c1-15-4-2-5-16-12-17(14-26)22(27-21(15)16)28-8-3-9-29(11-10-28)23(30)19-7-6-18(24)13-20(19)25/h2,4-7,12-13H,3,8-11H2,1H3