4-(1H-indol-3-ylmethyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-(1H-indol-3-ylmethyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(1H-indol-3-ylmethyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-(1H-indol-3-ylmethyl)-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(1H-indol-3-ylmethyl)-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(1H-indol-3-ylmethyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=CNC3=CC=CC=C32)CC4=CN=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=CNC3=CC=CC=C32)CC4=CN=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c32-27-19-30(16-23-14-29-26-11-5-4-10-25(23)26)17-24(33-20-21-7-2-1-3-8-21)18-31(27)15-22-9-6-12-28-13-22/h1-14,24,29H,15-20H2