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

Systemtic Name: 6-ethyl-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 6-ethyl-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 6-ethyl-2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 6-ethyl-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 6-ethyl-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-3-carbonitrile Formula: C24H23FN4O MolecularWeight: 402.464023

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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=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O/c1-2-17-4-9-22-19(14-17)15-20(16-26)23(27-22)28-10-3-11-29(13-12-28)24(30)18-5-7-21(25)8-6-18/h4-9,14-15H,2-3,10-13H2,1H3