(3S)-3-[[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]amino]azepan-2-one

Systemtic Name: (3S)-3-[[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]amino]azepan-2-one Openeye Name: (3S)-3-[[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridyl]amino]azepan-2-one CAS Name: (3S)-3-[[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-2-azepanone IUPAC Name: (3S)-3-[[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]amino]azepan-2-one Traditional Name: (3S)-3-[[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridyl]amino]azepan-2-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=NC=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC2=NC=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c27-20-17(8-4-5-13-22-20)24-18-12-10-16(14-23-18)21-25-19(26-28-21)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,17H,4-5,8-9,11,13H2,(H,22,27)(H,23,24)/t17-/m0/s1