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

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(6-methyl-4-oxo-chromen-3-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(6-methyl-4-oxochromen-3-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(4-keto-6-methyl-chromen-3-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CC(CN(C(=O)C3)CC4=CN(N=C4)C)OCC5=CN=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN3CC(CN(C(=O)C3)CC4=CN(N=C4)C)OCC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O4/c1-19-5-6-25-24(8-19)27(34)22(18-36-25)13-31-14-23(35-17-20-4-3-7-28-9-20)15-32(26(33)16-31)12-21-10-29-30(2)11-21/h3-11,18,23H,12-17H2,1-2H3