6-oxidanyl-1-(pyridin-3-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-oxidanyl-1-(pyridin-3-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-hydroxy-1-(3-pyridylmethyl)-4-(3-thienylmethyl)-1,4-diazepan-2-one CAS Name: 6-hydroxy-1-(3-pyridinylmethyl)-4-(3-thiophenylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-hydroxy-1-(pyridin-3-ylmethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-hydroxy-1-(3-pyridylmethyl)-4-(3-thenyl)-1,4-diazepan-2-one Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=CSC=C2)CC3=CN=CC=C3)O

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=CSC=C2)CC3=CN=CC=C3)O

InChI

InChI=1S/C16H19N3O2S/c20-15-9-18(7-14-3-5-22-12-14)11-16(21)19(10-15)8-13-2-1-4-17-6-13/h1-6,12,15,20H,7-11H2