2-[4-[2,6-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-6-ethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-6-ethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2,6-difluorobenzoyl)-1,4-diazepan-1-yl]-6-ethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(2,6-difluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-6-ethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2,6-difluorobenzoyl)-1,4-diazepan-1-yl]-6-ethylquinoline-3-carbonitrile Traditional Name: 2-[4-(2,6-difluorobenzoyl)-1,4-diazepan-1-yl]-6-ethyl-quinoline-3-carbonitrile Formula: C24H22F2N4O MolecularWeight: 420.454486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCN(CC3)C(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C24H22F2N4O/c1-2-16-7-8-21-17(13-16)14-18(15-27)23(28-21)29-9-4-10-30(12-11-29)24(31)22-19(25)5-3-6-20(22)26/h3,5-8,13-14H,2,4,9-12H2,1H3