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

Systemtic Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(3-fluoranylphenoxy)pyridine-2-carbonitrile Openeye Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(3-fluorophenoxy)pyridine-2-carbonitrile CAS Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-3-(3-fluorophenoxy)-2-pyridinecarbonitrile IUPAC Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(3-fluorophenoxy)pyridine-2-carbonitrile Traditional Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(3-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=C3)F)C#N)C4CC4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC(=C(C=C2)OC3=CC(=CC=C3)F)C#N)C4CC4

InChI

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