2-[4-[3,4-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3,4-difluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]-7-methylquinoline-3-carbonitrile Traditional Name: 2-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]-7-methyl-quinoline-3-carbonitrile Formula: C23H20F2N4O MolecularWeight: 406.427906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F2N4O/c1-15-3-4-16-12-18(14-26)22(27-21(16)11-15)28-7-2-8-29(10-9-28)23(30)17-5-6-19(24)20(25)13-17/h3-6,11-13H,2,7-10H2,1H3