1-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]azepan-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]azepan-2-one Openeye Name: 1-[2-oxo-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]ethyl]azepan-2-one CAS Name: 1-[2-oxo-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]ethyl]-2-azepanone IUPAC Name: 1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]azepan-2-one Traditional Name: 1-[2-keto-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazino]ethyl]azepan-2-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c27-20-9-5-2-6-10-26(20)16-21(28)25-13-11-24(12-14-25)15-19-17-29-22(23-19)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2