1-(4-fluorophenyl)-4-[6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-[6-methoxy-3-oxidanylidene-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(4-fluorophenyl)-4-[6-methoxy-3-oxo-4-(3-pyridylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-[6-methoxy-3-oxo-4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(4-fluorophenyl)-4-[6-methoxy-3-oxo-4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-(4-fluorophenyl)-4-[3-keto-6-methoxy-4-(3-pyridylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Formula: C22H24FN3O4 MolecularWeight: 413.442063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O4/c1-30-19-13-25(12-16-3-2-10-24-11-16)22(29)15-26(14-19)21(28)9-8-20(27)17-4-6-18(23)7-5-17/h2-7,10-11,19H,8-9,12-15H2,1H3