3-[[4-(2-phenoxypyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-phenoxypyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-phenoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[oxo-(2-phenoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-phenoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-phenoxynicotinoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H24N4O2/c26-18-20-7-4-8-21(17-20)19-28-13-6-14-29(16-15-28)25(30)23-11-5-12-27-24(23)31-22-9-2-1-3-10-22/h1-5,7-12,17H,6,13-16,19H2