6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(2-fluoranylphenoxy)pyridine-2-carbonitrile

Systemtic Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(2-fluoranylphenoxy)pyridine-2-carbonitrile Openeye Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(2-fluorophenoxy)pyridine-2-carbonitrile CAS Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-3-(2-fluorophenoxy)-2-pyridinecarbonitrile IUPAC Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(2-fluorophenoxy)pyridine-2-carbonitrile Traditional Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(2-fluorophenoxy)picolinonitrile Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC(=C(C=C2)OC3=CC=CC=C3F)C#N)C4CC4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC(=C(C=C2)OC3=CC=CC=C3F)C#N)C4CC4

InChI

InChI=1S/C21H21FN4O2/c22-16-4-1-2-5-19(16)28-20-9-8-17(24-18(20)14-23)21(27)26-11-3-10-25(12-13-26)15-6-7-15/h1-2,4-5,8-9,15H,3,6-7,10-13H2