6-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]nicotinonitrile Formula: C18H17FN4O MolecularWeight: 324.352183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H17FN4O/c19-16-5-3-15(4-6-16)18(24)23-9-1-8-22(10-11-23)17-7-2-14(12-20)13-21-17/h2-7,13H,1,8-11H2