1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-butanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c27-21(11-4-10-20-23-22(24-28-20)19-9-5-16-29-19)26-13-6-12-25(14-15-26)17-18-7-2-1-3-8-18/h1-3,5,7-9,16H,4,6,10-15,17H2