3-[5-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]pyridin-2-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[5-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]pyridin-2-yl]oxybenzenecarbonitrile Openeye Name: 3-[[5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-pyridyl]oxy]benzonitrile CAS Name: 3-[[5-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-2-pyridinyl]oxy]benzonitrile IUPAC Name: 3-[5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyridin-2-yl]oxybenzonitrile Traditional Name: 3-[[5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-pyridyl]oxy]benzonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c22-14-16-3-1-4-19(13-16)27-20-8-5-17(15-23-20)21(26)25-10-2-9-24(11-12-25)18-6-7-18/h1,3-5,8,13,15,18H,2,6-7,9-12H2