4-[(3-methoxyphenyl)methyl]-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-5-one Openeye Name: 4-[(3-methoxyphenyl)methyl]-1-[[4-(1-piperidylmethyl)-2-thienyl]methyl]-1,4-diazepan-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[[4-(1-piperidinylmethyl)-2-thiophenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-5-one Traditional Name: 4-m-anisyl-1-[[4-(piperidinomethyl)-2-thienyl]methyl]-1,4-diazepan-5-one Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CCC2=O)CC3=CC(=CS3)CN4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CCC2=O)CC3=CC(=CS3)CN4CCCCC4

InChI

InChI=1S/C24H33N3O2S/c1-29-22-7-5-6-20(14-22)17-27-13-12-26(11-8-24(27)28)18-23-15-21(19-30-23)16-25-9-3-2-4-10-25/h5-7,14-15,19H,2-4,8-13,16-18H2,1H3