1-[(1-methylpyrazol-4-yl)methyl]-4-(naphthalen-1-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(naphthalen-1-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(1-naphthylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-(1-naphthalenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(naphthalen-1-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(1-naphthylmethyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H29N5O2 MolecularWeight: 455.55146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC=CC4=CC=CC=C43)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC=CC4=CC=CC=C43)OCC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-30-14-22(13-29-30)15-32-18-25(34-20-21-6-5-11-28-12-21)17-31(19-27(32)33)16-24-9-4-8-23-7-2-3-10-26(23)24/h2-14,25H,15-20H2,1H3