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

Systemtic Name: 4-(1H-indol-2-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1H-indol-2-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(1H-indol-2-ylmethyl)-1-[(1-methyl-4-pyrazolyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1H-indol-2-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1H-indol-2-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC4=CC=CC=C4N3)OCC5=CC=NC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC4=CC=CC=C4N3)OCC5=CC=NC=C5

InChI

InChI=1S/C25H28N6O2/c1-29-12-20(11-27-29)13-31-16-23(33-18-19-6-8-26-9-7-19)15-30(17-25(31)32)14-22-10-21-4-2-3-5-24(21)28-22/h2-12,23,28H,13-18H2,1H3