4-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C=O

InChI

InChI=1S/C20H20N4O4/c25-14-23-7-2-8-24(10-9-23)20(26)18-11-16(28-22-18)13-27-19-4-1-3-15-12-21-6-5-17(15)19/h1,3-6,11-12,14H,2,7-10,13H2