2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Formula: C24H23FN4O MolecularWeight: 402.464023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)F)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)F)C#N)C

InChI

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