[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone

Systemtic Name: [4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-(2-naphthylmethyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-(2-naphthalenylmethyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(2-naphthylmethyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone Formula: C28H27N3O2 MolecularWeight: 437.53288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H27N3O2/c32-28(26-12-6-15-29-27(26)33-25-10-2-1-3-11-25)31-17-7-16-30(18-19-31)21-22-13-14-23-8-4-5-9-24(23)20-22/h1-6,8-15,20H,7,16-19,21H2