6-oxidanyl-1-(phenylmethyl)-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-2-one

Systemtic Name: 6-oxidanyl-1-(phenylmethyl)-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-hydroxy-4-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl]-1,4-diazepan-2-one CAS Name: 6-hydroxy-1-(phenylmethyl)-4-[[5-(1-pyrrolidinylmethyl)-2-thiophenyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-hydroxy-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-hydroxy-4-[[5-(pyrrolidinomethyl)-2-thienyl]methyl]-1,4-diazepan-2-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(S2)CN3CC(CN(C(=O)C3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C1)CC2=CC=C(S2)CN3CC(CN(C(=O)C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H29N3O2S/c26-19-13-24(16-21-9-8-20(28-21)15-23-10-4-5-11-23)17-22(27)25(14-19)12-18-6-2-1-3-7-18/h1-3,6-9,19,26H,4-5,10-17H2