2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(3-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Formula: C24H23FN4O MolecularWeight: 402.464023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)F)C#N)C

InChI

InChI=1S/C24H23FN4O/c1-16-7-8-18-13-20(15-26)23(27-22(18)17(16)2)28-9-4-10-29(12-11-28)24(30)19-5-3-6-21(25)14-19/h3,5-8,13-14H,4,9-12H2,1-2H3