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

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-21(8-7-20-24-22(25-29-20)19-9-11-23-12-10-19)27-14-4-13-26(15-16-27)17-18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,13-17H2